6-(3,3-dimethylbutan-2-yl)-3,4-dimethyldecane

C18H38 — CID 123656705

IUPAC6-(3,3-dimethylbutan-2-yl)-3,4-dimethyldecane
SMILESCCCCC(CC(C)C(C)CC)C(C)C(C)(C)C
InChIInChI=1S/C18H38/c1-9-11-12-17(16(5)18(6,7)8)13-15(4)14(3)10-2/h14-17H,9-13H2,1-8H3
InChIKeyJRRVPLDMPPFLCB-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.55
Rot. Bonds8

About 6-(3,3-dimethylbutan-2-yl)-3,4-dimethyldecane

6-(3,3-dimethylbutan-2-yl)-3,4-dimethyldecane (PubChem CID 123656705) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 6-(3,3-dimethylbutan-2-yl)-3,4-dimethyldecane.

Molecular Properties

Compound Name6-(3,3-dimethylbutan-2-yl)-3,4-dimethyldecane
PubChem CID123656705
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name6-(3,3-dimethylbutan-2-yl)-3,4-dimethyldecane
SMILESCCCCC(CC(C)C(C)CC)C(C)C(C)(C)C
InChIInChI=1S/C18H38/c1-9-11-12-17(16(5)18(6,7)8)13-15(4)14(3)10-2/h14-17H,9-13H2,1-8H3
InChIKeyJRRVPLDMPPFLCB-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 57492614
3,4,10-trimethyl-6-propan-2-ylpentadecane
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3,5-diethyl-4,7,8-trimethyldodecane
CID 123740222
5-butyl-3-methylnonane-4-thiol
CID 130319843
5-butyl-2,3-dimethylnonane
CID 123894711
2,2,3,4,5-pentamethylheptane
CID 53428630
5-ethyl-3,3,4-trimethylnonane
CID 57492068
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
2,3,6,7-tetramethyl-5-propylnonane
CID 91235316
6-ethyl-2,3-dimethyldecane
CID 57491764
2,3-dimethylheptane;ethane
CID 156648444
4,5-diethylnonane
CID 21188862

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylbutan-2-yl)-3,4-dimethyldecane?
The IUPAC name of 6-(3,3-dimethylbutan-2-yl)-3,4-dimethyldecane (CID 123656705) is 6-(3,3-dimethylbutan-2-yl)-3,4-dimethyldecane.
What is the SMILES notation for 6-(3,3-dimethylbutan-2-yl)-3,4-dimethyldecane?
The canonical SMILES for 6-(3,3-dimethylbutan-2-yl)-3,4-dimethyldecane is CCCCC(CC(C)C(C)CC)C(C)C(C)(C)C.
What is the InChIKey of 6-(3,3-dimethylbutan-2-yl)-3,4-dimethyldecane?
The InChIKey is JRRVPLDMPPFLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-9-11-12-17(16(5)18(6,7)8)13-15(4)14(3)10-2/h14-17H,9-13H2,1-8H3.
What are the key properties of 6-(3,3-dimethylbutan-2-yl)-3,4-dimethyldecane?
6-(3,3-dimethylbutan-2-yl)-3,4-dimethyldecane has a molecular weight of 254.50 g/mol, XLogP of 6.55, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylbutan-2-yl)-3,4-dimethyldecane is sourced from PubChem (CID 123656705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).