2-(6,10,14-trimethylpentadecan-2-yl)oxirene

C20H38O — CID 57127204

IUPAC2-(6,10,14-trimethylpentadecan-2-yl)oxirene
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)C1=CO1
InChIInChI=1S/C20H38O/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)20-15-21-20/h15-19H,6-14H2,1-5H3
InChIKeyGYMYTTFKBWRNHC-UHFFFAOYSA-N
MW294.52 g/mol
LogP6.93
Rot. Bonds13

About 2-(6,10,14-trimethylpentadecan-2-yl)oxirene

2-(6,10,14-trimethylpentadecan-2-yl)oxirene (PubChem CID 57127204) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is 2-(6,10,14-trimethylpentadecan-2-yl)oxirene.

Molecular Properties

Compound Name2-(6,10,14-trimethylpentadecan-2-yl)oxirene
PubChem CID57127204
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name2-(6,10,14-trimethylpentadecan-2-yl)oxirene
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)C1=CO1
InChIInChI=1S/C20H38O/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)20-15-21-20/h15-19H,6-14H2,1-5H3
InChIKeyGYMYTTFKBWRNHC-UHFFFAOYSA-N
XLogP6.93
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6,10,14-trimethylpentadecan-2-yl)oxirene?
The IUPAC name of 2-(6,10,14-trimethylpentadecan-2-yl)oxirene (CID 57127204) is 2-(6,10,14-trimethylpentadecan-2-yl)oxirene.
What is the SMILES notation for 2-(6,10,14-trimethylpentadecan-2-yl)oxirene?
The canonical SMILES for 2-(6,10,14-trimethylpentadecan-2-yl)oxirene is CC(C)CCCC(C)CCCC(C)CCCC(C)C1=CO1.
What is the InChIKey of 2-(6,10,14-trimethylpentadecan-2-yl)oxirene?
The InChIKey is GYMYTTFKBWRNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)20-15-21-20/h15-19H,6-14H2,1-5H3.
What are the key properties of 2-(6,10,14-trimethylpentadecan-2-yl)oxirene?
2-(6,10,14-trimethylpentadecan-2-yl)oxirene has a molecular weight of 294.52 g/mol, XLogP of 6.93, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,10,14-trimethylpentadecan-2-yl)oxirene is sourced from PubChem (CID 57127204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).