2,3,6,7,8,13,14-heptamethyl-9-propylheptadecane

C27H56 — CID 123281462

IUPAC2,3,6,7,8,13,14-heptamethyl-9-propylheptadecane
SMILESCCCC(C)C(C)CCCC(CCC)C(C)C(C)C(C)CCC(C)C(C)C
InChIInChI=1S/C27H56/c1-11-14-22(6)23(7)16-13-17-27(15-12-2)26(10)25(9)24(8)19-18-21(5)20(3)4/h20-27H,11-19H2,1-10H3
InChIKeyKAGVHXSAEPRWLY-UHFFFAOYSA-N
MW380.75 g/mol
LogP9.63
Rot. Bonds16

About 2,3,6,7,8,13,14-heptamethyl-9-propylheptadecane

2,3,6,7,8,13,14-heptamethyl-9-propylheptadecane (PubChem CID 123281462) has the molecular formula C27H56 and a molecular weight of 380.75 g/mol. Its IUPAC name is 2,3,6,7,8,13,14-heptamethyl-9-propylheptadecane.

Molecular Properties

Compound Name2,3,6,7,8,13,14-heptamethyl-9-propylheptadecane
PubChem CID123281462
Molecular FormulaC27H56
Molecular Weight380.75 g/mol
Exact Mass380.44
IUPAC Name2,3,6,7,8,13,14-heptamethyl-9-propylheptadecane
SMILESCCCC(C)C(C)CCCC(CCC)C(C)C(C)C(C)CCC(C)C(C)C
InChIInChI=1S/C27H56/c1-11-14-22(6)23(7)16-13-17-27(15-12-2)26(10)25(9)24(8)19-18-21(5)20(3)4/h20-27H,11-19H2,1-10H3
InChIKeyKAGVHXSAEPRWLY-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.75
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7,8,13,14-heptamethyl-9-propylheptadecane?
The IUPAC name of 2,3,6,7,8,13,14-heptamethyl-9-propylheptadecane (CID 123281462) is 2,3,6,7,8,13,14-heptamethyl-9-propylheptadecane.
What is the SMILES notation for 2,3,6,7,8,13,14-heptamethyl-9-propylheptadecane?
The canonical SMILES for 2,3,6,7,8,13,14-heptamethyl-9-propylheptadecane is CCCC(C)C(C)CCCC(CCC)C(C)C(C)C(C)CCC(C)C(C)C.
What is the InChIKey of 2,3,6,7,8,13,14-heptamethyl-9-propylheptadecane?
The InChIKey is KAGVHXSAEPRWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56/c1-11-14-22(6)23(7)16-13-17-27(15-12-2)26(10)25(9)24(8)19-18-21(5)20(3)4/h20-27H,11-19H2,1-10H3.
What are the key properties of 2,3,6,7,8,13,14-heptamethyl-9-propylheptadecane?
2,3,6,7,8,13,14-heptamethyl-9-propylheptadecane has a molecular weight of 380.75 g/mol, XLogP of 9.63, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7,8,13,14-heptamethyl-9-propylheptadecane is sourced from PubChem (CID 123281462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).