3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane

C30H62 — CID 168768999

IUPAC3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
SMILESCCC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)CC
InChIInChI=1S/C30H62/c1-16-18(3)20(5)22(7)24(9)26(11)28(13)30(15)29(14)27(12)25(10)23(8)21(6)19(4)17-2/h18-30H,16-17H2,1-15H3
InChIKeyJRJHMBCBDSHSSS-UHFFFAOYSA-N
MW422.83 g/mol
LogP10.08
Rot. Bonds14

About 3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane

3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane (PubChem CID 168768999) has the molecular formula C30H62 and a molecular weight of 422.83 g/mol. Its IUPAC name is 3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane.

Molecular Properties

Compound Name3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
PubChem CID168768999
Molecular FormulaC30H62
Molecular Weight422.83 g/mol
Exact Mass422.49
IUPAC Name3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
SMILESCCC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)CC
InChIInChI=1S/C30H62/c1-16-18(3)20(5)22(7)24(9)26(11)28(13)30(15)29(14)27(12)25(10)23(8)21(6)19(4)17-2/h18-30H,16-17H2,1-15H3
InChIKeyJRJHMBCBDSHSSS-UHFFFAOYSA-N
XLogP10.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.83
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 58359072
ethane;3,4,5,6,7,8,8,9,10,11,12,13,14-tridecamethylhexadecane
CID 159389585
3,4,5,6,8-pentamethyldecane
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3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane
CID 59966829
3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19-heptadecamethylhenicosan-2-ylcyclopropane
CID 123401956
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
(3R)-4,5-dimethylheptan-3-amine
CID 163978078
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
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2,3-dimethylpentane;ethane;methane
CID 143379754
3,4,6,7-tetramethyl-5-propylnonane
CID 91018101
2,2,3,4,5-pentamethylheptane
CID 53428630

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane?
The IUPAC name of 3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane (CID 168768999) is 3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane.
What is the SMILES notation for 3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane?
The canonical SMILES for 3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane is CCC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)CC.
What is the InChIKey of 3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane?
The InChIKey is JRJHMBCBDSHSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62/c1-16-18(3)20(5)22(7)24(9)26(11)28(13)30(15)29(14)27(12)25(10)23(8)21(6)19(4)17-2/h18-30H,16-17H2,1-15H3.
What are the key properties of 3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane?
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane has a molecular weight of 422.83 g/mol, XLogP of 10.08, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane is sourced from PubChem (CID 168768999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).