2,3,5,8,8,11,13-heptamethyl-7,11-di(propan-2-yl)tetradecane

C27H56 — CID 173139974

IUPAC2,3,5,8,8,11,13-heptamethyl-7,11-di(propan-2-yl)tetradecane
SMILESCC(C)CC(C)(CCC(C)(C)C(CC(C)CC(C)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C27H56/c1-19(2)18-27(13,22(7)8)15-14-26(11,12)25(21(5)6)17-23(9)16-24(10)20(3)4/h19-25H,14-18H2,1-13H3
InChIKeyFTJCITFRBBFJJG-UHFFFAOYSA-N
MW380.75 g/mol
LogP9.48
Rot. Bonds13

About 2,3,5,8,8,11,13-heptamethyl-7,11-di(propan-2-yl)tetradecane

2,3,5,8,8,11,13-heptamethyl-7,11-di(propan-2-yl)tetradecane (PubChem CID 173139974) has the molecular formula C27H56 and a molecular weight of 380.75 g/mol. Its IUPAC name is 2,3,5,8,8,11,13-heptamethyl-7,11-di(propan-2-yl)tetradecane.

Molecular Properties

Compound Name2,3,5,8,8,11,13-heptamethyl-7,11-di(propan-2-yl)tetradecane
PubChem CID173139974
Molecular FormulaC27H56
Molecular Weight380.75 g/mol
Exact Mass380.44
IUPAC Name2,3,5,8,8,11,13-heptamethyl-7,11-di(propan-2-yl)tetradecane
SMILESCC(C)CC(C)(CCC(C)(C)C(CC(C)CC(C)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C27H56/c1-19(2)18-27(13,22(7)8)15-14-26(11,12)25(21(5)6)17-23(9)16-24(10)20(3)4/h19-25H,14-18H2,1-13H3
InChIKeyFTJCITFRBBFJJG-UHFFFAOYSA-N
XLogP9.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.75
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,8,8,11,13-heptamethyl-7,11-di(propan-2-yl)tetradecane?
The IUPAC name of 2,3,5,8,8,11,13-heptamethyl-7,11-di(propan-2-yl)tetradecane (CID 173139974) is 2,3,5,8,8,11,13-heptamethyl-7,11-di(propan-2-yl)tetradecane.
What is the SMILES notation for 2,3,5,8,8,11,13-heptamethyl-7,11-di(propan-2-yl)tetradecane?
The canonical SMILES for 2,3,5,8,8,11,13-heptamethyl-7,11-di(propan-2-yl)tetradecane is CC(C)CC(C)(CCC(C)(C)C(CC(C)CC(C)C(C)C)C(C)C)C(C)C.
What is the InChIKey of 2,3,5,8,8,11,13-heptamethyl-7,11-di(propan-2-yl)tetradecane?
The InChIKey is FTJCITFRBBFJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56/c1-19(2)18-27(13,22(7)8)15-14-26(11,12)25(21(5)6)17-23(9)16-24(10)20(3)4/h19-25H,14-18H2,1-13H3.
What are the key properties of 2,3,5,8,8,11,13-heptamethyl-7,11-di(propan-2-yl)tetradecane?
2,3,5,8,8,11,13-heptamethyl-7,11-di(propan-2-yl)tetradecane has a molecular weight of 380.75 g/mol, XLogP of 9.48, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,8,8,11,13-heptamethyl-7,11-di(propan-2-yl)tetradecane is sourced from PubChem (CID 173139974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).