(3-methylcyclopentadecen-1-yl) formate

C17H30O2 — CID 90796649

IUPAC(3-methylcyclopentadecen-1-yl) formate
SMILESCC1C=C(OC=O)CCCCCCCCCCCC1
InChIInChI=1S/C17H30O2/c1-16-12-10-8-6-4-2-3-5-7-9-11-13-17(14-16)19-15-18/h14-16H,2-13H2,1H3
InChIKeyMDEHBVAHNMESMB-UHFFFAOYSA-N
MW266.42 g/mol
LogP5.37
Rot. Bonds2

About (3-methylcyclopentadecen-1-yl) formate

(3-methylcyclopentadecen-1-yl) formate (PubChem CID 90796649) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (3-methylcyclopentadecen-1-yl) formate.

Molecular Properties

Compound Name(3-methylcyclopentadecen-1-yl) formate
PubChem CID90796649
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(3-methylcyclopentadecen-1-yl) formate
SMILESCC1C=C(OC=O)CCCCCCCCCCCC1
InChIInChI=1S/C17H30O2/c1-16-12-10-8-6-4-2-3-5-7-9-11-13-17(14-16)19-15-18/h14-16H,2-13H2,1H3
InChIKeyMDEHBVAHNMESMB-UHFFFAOYSA-N
XLogP5.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-methylcyclopentadecen-1-yl) formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclopentadecen-1-yl) formate?
The IUPAC name of (3-methylcyclopentadecen-1-yl) formate (CID 90796649) is (3-methylcyclopentadecen-1-yl) formate.
What is the SMILES notation for (3-methylcyclopentadecen-1-yl) formate?
The canonical SMILES for (3-methylcyclopentadecen-1-yl) formate is CC1C=C(OC=O)CCCCCCCCCCCC1.
What is the InChIKey of (3-methylcyclopentadecen-1-yl) formate?
The InChIKey is MDEHBVAHNMESMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-16-12-10-8-6-4-2-3-5-7-9-11-13-17(14-16)19-15-18/h14-16H,2-13H2,1H3.
What are the key properties of (3-methylcyclopentadecen-1-yl) formate?
(3-methylcyclopentadecen-1-yl) formate has a molecular weight of 266.42 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclopentadecen-1-yl) formate is sourced from PubChem (CID 90796649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).