15-methylnonacosan-7-yl acetate

C32H64O2 — CID 101175971

IUPAC15-methylnonacosan-7-yl acetate
SMILESCCCCCCCCCCCCCCC(C)CCCCCCCC(CCCCCC)OC(C)=O
InChIInChI=1S/C32H64O2/c1-5-7-9-11-12-13-14-15-16-17-19-22-26-30(3)27-23-20-18-21-25-29-32(34-31(4)33)28-24-10-8-6-2/h30,32H,5-29H2,1-4H3
InChIKeyJIRIRAKKWXXLAK-UHFFFAOYSA-N
MW480.86 g/mol
LogP11.35
Rot. Bonds27

About 15-methylnonacosan-7-yl acetate

15-methylnonacosan-7-yl acetate (PubChem CID 101175971) has the molecular formula C32H64O2 and a molecular weight of 480.86 g/mol. Its IUPAC name is 15-methylnonacosan-7-yl acetate.

Molecular Properties

Compound Name15-methylnonacosan-7-yl acetate
PubChem CID101175971
Molecular FormulaC32H64O2
Molecular Weight480.86 g/mol
Exact Mass480.49
IUPAC Name15-methylnonacosan-7-yl acetate
SMILESCCCCCCCCCCCCCCC(C)CCCCCCCC(CCCCCC)OC(C)=O
InChIInChI=1S/C32H64O2/c1-5-7-9-11-12-13-14-15-16-17-19-22-26-30(3)27-23-20-18-21-25-29-32(34-31(4)33)28-24-10-8-6-2/h30,32H,5-29H2,1-4H3
InChIKeyJIRIRAKKWXXLAK-UHFFFAOYSA-N
XLogP11.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.86
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 15-methylnonacosan-7-yl acetate?
The IUPAC name of 15-methylnonacosan-7-yl acetate (CID 101175971) is 15-methylnonacosan-7-yl acetate.
What is the SMILES notation for 15-methylnonacosan-7-yl acetate?
The canonical SMILES for 15-methylnonacosan-7-yl acetate is CCCCCCCCCCCCCCC(C)CCCCCCCC(CCCCCC)OC(C)=O.
What is the InChIKey of 15-methylnonacosan-7-yl acetate?
The InChIKey is JIRIRAKKWXXLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64O2/c1-5-7-9-11-12-13-14-15-16-17-19-22-26-30(3)27-23-20-18-21-25-29-32(34-31(4)33)28-24-10-8-6-2/h30,32H,5-29H2,1-4H3.
What are the key properties of 15-methylnonacosan-7-yl acetate?
15-methylnonacosan-7-yl acetate has a molecular weight of 480.86 g/mol, XLogP of 11.35, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methylnonacosan-7-yl acetate is sourced from PubChem (CID 101175971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).