9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;methane

C193H426 — CID 165097427

IUPAC9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;methane
SMILESC.C.C.C.C.C.C.C.C.C.CCCCC(CCCC)C(C)(C)C.CCCCCC(CCCCC)C(C)(C)C.CCCCCCC(CCCC)C(C)(C)C.CCCCCCC(CCCC)CC(C)(C)C.CCCCCCC(CCCCCC)C(C)(C)C.CCCCCCCCC(CCCCCC)C(C)(C)C.CCCCCCCCC(CCCCCC)CC(C)(C)C.CCCCCCCCC(CCCCCCCC)C(C)(C)C.CCCCCCCCCCC(CCCCCCCC)C(C)(C)C.CCCCCCCCCCC(CCCCCCCC)CC(C)(C)C
InChIInChI=1S/C24H50.C23H48.C21H44.C20H42.C19H40.C17H36.C16H34.2C15H32.C13H28.10CH4/c1-6-8-10-12-14-15-17-19-21-23(22-24(3,4)5)20-18-16-13-11-9-7-2;1-6-8-10-12-14-15-17-19-21-22(23(3,4)5)20-18-16-13-11-9-7-2;1-6-8-10-12-14-16-18-20(21(3,4)5)19-17-15-13-11-9-7-2;1-6-8-10-12-13-15-17-19(18-20(3,4)5)16-14-11-9-7-2;1-6-8-10-12-13-15-17-18(19(3,4)5)16-14-11-9-7-2;1-6-8-10-12-14-16(17(3,4)5)15-13-11-9-7-2;1-6-8-10-11-13-15(12-9-7-2)14-16(3,4)5;1-6-8-10-11-13-14(12-9-7-2)15(3,4)5;1-6-8-10-12-14(15(3,4)5)13-11-9-7-2;1-6-8-10-12(11-9-7-2)13(3,4)5;;;;;;;;;;/h23H,6-22H2,1-5H3;22H,6-21H2,1-5H3;20H,6-19H2,1-5H3;19H,6-18H2,1-5H3;18H,6-17H2,1-5H3;16H,6-15H2,1-5H3;15H,6-14H2,1-5H3;2*14H,6-13H2,1-5H3;12H,6-11H2,1-5H3;10*1H4
InChIKeyXSXWBMUJZYNUNI-UHFFFAOYSA-N
MW2747.53 g/mol
LogP77.33
Rot. Bonds113

About 9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;methane

9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;methane (PubChem CID 165097427) has the molecular formula C193H426 and a molecular weight of 2747.53 g/mol. Its IUPAC name is 9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;methane.

Molecular Properties

Compound Name9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;methane
PubChem CID165097427
Molecular FormulaC193H426
Molecular Weight2747.53 g/mol
Exact Mass2745.33
IUPAC Name9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;methane
SMILESC.C.C.C.C.C.C.C.C.C.CCCCC(CCCC)C(C)(C)C.CCCCCC(CCCCC)C(C)(C)C.CCCCCCC(CCCC)C(C)(C)C.CCCCCCC(CCCC)CC(C)(C)C.CCCCCCC(CCCCCC)C(C)(C)C.CCCCCCCCC(CCCCCC)C(C)(C)C.CCCCCCCCC(CCCCCC)CC(C)(C)C.CCCCCCCCC(CCCCCCCC)C(C)(C)C.CCCCCCCCCCC(CCCCCCCC)C(C)(C)C.CCCCCCCCCCC(CCCCCCCC)CC(C)(C)C
InChIInChI=1S/C24H50.C23H48.C21H44.C20H42.C19H40.C17H36.C16H34.2C15H32.C13H28.10CH4/c1-6-8-10-12-14-15-17-19-21-23(22-24(3,4)5)20-18-16-13-11-9-7-2;1-6-8-10-12-14-15-17-19-21-22(23(3,4)5)20-18-16-13-11-9-7-2;1-6-8-10-12-14-16-18-20(21(3,4)5)19-17-15-13-11-9-7-2;1-6-8-10-12-13-15-17-19(18-20(3,4)5)16-14-11-9-7-2;1-6-8-10-12-13-15-17-18(19(3,4)5)16-14-11-9-7-2;1-6-8-10-12-14-16(17(3,4)5)15-13-11-9-7-2;1-6-8-10-11-13-15(12-9-7-2)14-16(3,4)5;1-6-8-10-11-13-14(12-9-7-2)15(3,4)5;1-6-8-10-12-14(15(3,4)5)13-11-9-7-2;1-6-8-10-12(11-9-7-2)13(3,4)5;;;;;;;;;;/h23H,6-22H2,1-5H3;22H,6-21H2,1-5H3;20H,6-19H2,1-5H3;19H,6-18H2,1-5H3;18H,6-17H2,1-5H3;16H,6-15H2,1-5H3;15H,6-14H2,1-5H3;2*14H,6-13H2,1-5H3;12H,6-11H2,1-5H3;10*1H4
InChIKeyXSXWBMUJZYNUNI-UHFFFAOYSA-N
XLogP77.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds113
Heavy Atoms193
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002747.53
LogP ≤ 577.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;methane with MolForge

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Related Compounds

5-tert-butylnonane;7-tert-butyltridecane;5-tert-butylundecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;3-ethyl-2,2-dimethylheptane
CID 157082201
5-tert-butyldecane;4-tert-butyl-2,6-dimethylheptane;9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane
CID 157410601
9-tert-butyl-14-octyldocosane
CID 166495626
9-tert-butylhenicosane
CID 150708915
6-tert-butylundecane
CID 90714582
4-ethyl-2,2-dimethylundecane
CID 57148290
(3R)-3-(2,2-dimethylpropyl)octan-1-ol
CID 118887517
4-tert-butyldecane-1-thiol
CID 88900785
3-ethyl-2,2-dimethylheptane
CID 20686447
6-butylhenicosane
CID 91802566
13-butyldotriacontane
CID 91613083
14-butylheptatriacontane
CID 91361474

Frequently Asked Questions

What is the IUPAC name of 9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;methane?
The IUPAC name of 9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;methane (CID 165097427) is 9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;methane.
What is the SMILES notation for 9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;methane?
The canonical SMILES for 9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;methane is C.C.C.C.C.C.C.C.C.C.CCCCC(CCCC)C(C)(C)C.CCCCCC(CCCCC)C(C)(C)C.CCCCCCC(CCCC)C(C)(C)C.CCCCCCC(CCCC)CC(C)(C)C.CCCCCCC(CCCCCC)C(C)(C)C.CCCCCCCCC(CCCCCC)C(C)(C)C.CCCCCCCCC(CCCCCC)CC(C)(C)C.CCCCCCCCC(CCCCCCCC)C(C)(C)C.CCCCCCCCCCC(CCCCCCCC)C(C)(C)C.CCCCCCCCCCC(CCCCCCCC)CC(C)(C)C.
What is the InChIKey of 9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;methane?
The InChIKey is XSXWBMUJZYNUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50.C23H48.C21H44.C20H42.C19H40.C17H36.C16H34.2C15H32.C13H28.10CH4/c1-6-8-10-12-14-15-17-19-21-23(22-24(3,4)5)20-18-16-13-11-9-7-2;1-6-8-10-12-14-15-17-19-21-22(23(3,4)5)20-18-16-13-11-9-7-2;1-6-8-10-12-14-16-18-20(21(3,4)5)19-17-15-13-11-9-7-2;1-6-8-10-12-13-15-17-19(18-20(3,4)5)16-14-11-9-7-2;1-6-8-10-12-13-15-17-18(19(3,4)5)16-14-11-9-7-2;1-6-8-10-12-14-16(17(3,4)5)15-13-11-9-7-2;1-6-8-10-11-13-15(12-9-7-2)14-16(3,4)5;1-6-8-10-11-13-14(12-9-7-2)15(3,4)5;1-6-8-10-12-14(15(3,4)5)13-11-9-7-2;1-6-8-10-12(11-9-7-2)13(3,4)5;;;;;;;;;;/h23H,6-22H2,1-5H3;22H,6-21H2,1-5H3;20H,6-19H2,1-5H3;19H,6-18H2,1-5H3;18H,6-17H2,1-5H3;16H,6-15H2,1-5H3;15H,6-14H2,1-5H3;2*14H,6-13H2,1-5H3;12H,6-11H2,1-5H3;10*1H4.
What are the key properties of 9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;methane?
9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;methane has a molecular weight of 2747.53 g/mol, XLogP of 77.33, 113 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;methane is sourced from PubChem (CID 165097427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).