(3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl)methyl acetate

C17H28O2 — CID 14634627

IUPAC(3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl)methyl acetate
SMILESCC(=O)OCC1C2CCC3C2C(C)(C)CCCC13C
InChIInChI=1S/C17H28O2/c1-11(18)19-10-14-12-6-7-13-15(12)16(2,3)8-5-9-17(13,14)4/h12-15H,5-10H2,1-4H3
InChIKeyFWCPQBUXTSVEIC-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.04
Rot. Bonds2

About (3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl)methyl acetate

(3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl)methyl acetate (PubChem CID 14634627) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl)methyl acetate.

Molecular Properties

Compound Name(3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl)methyl acetate
PubChem CID14634627
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl)methyl acetate
SMILESCC(=O)OCC1C2CCC3C2C(C)(C)CCCC13C
InChIInChI=1S/C17H28O2/c1-11(18)19-10-14-12-6-7-13-15(12)16(2,3)8-5-9-17(13,14)4/h12-15H,5-10H2,1-4H3
InChIKeyFWCPQBUXTSVEIC-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl)methyl acetate 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 (3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl)methyl acetate?
The IUPAC name of (3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl)methyl acetate (CID 14634627) is (3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl)methyl acetate.
What is the SMILES notation for (3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl)methyl acetate?
The canonical SMILES for (3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl)methyl acetate is CC(=O)OCC1C2CCC3C2C(C)(C)CCCC13C.
What is the InChIKey of (3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl)methyl acetate?
The InChIKey is FWCPQBUXTSVEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-11(18)19-10-14-12-6-7-13-15(12)16(2,3)8-5-9-17(13,14)4/h12-15H,5-10H2,1-4H3.
What are the key properties of (3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl)methyl acetate?
(3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl)methyl acetate has a molecular weight of 264.41 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl)methyl acetate is sourced from PubChem (CID 14634627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).