(3-methoxycyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate

C16H26O3 — CID 71899358

IUPAC(3-methoxycyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCOC1CCCC(OC(=O)CC2CC3CCC2C3)C1
InChIInChI=1S/C16H26O3/c1-18-14-3-2-4-15(10-14)19-16(17)9-13-8-11-5-6-12(13)7-11/h11-15H,2-10H2,1H3
InChIKeyWWMKVHIWZBVVKC-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.31
Rot. Bonds4

About (3-methoxycyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate

(3-methoxycyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 71899358) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is (3-methoxycyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name(3-methoxycyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID71899358
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name(3-methoxycyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCOC1CCCC(OC(=O)CC2CC3CCC2C3)C1
InChIInChI=1S/C16H26O3/c1-18-14-3-2-4-15(10-14)19-16(17)9-13-8-11-5-6-12(13)7-11/h11-15H,2-10H2,1H3
InChIKeyWWMKVHIWZBVVKC-UHFFFAOYSA-N
XLogP3.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-methoxycyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)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-methoxycyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of (3-methoxycyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 71899358) is (3-methoxycyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for (3-methoxycyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for (3-methoxycyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate is COC1CCCC(OC(=O)CC2CC3CCC2C3)C1.
What is the InChIKey of (3-methoxycyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is WWMKVHIWZBVVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-18-14-3-2-4-15(10-14)19-16(17)9-13-8-11-5-6-12(13)7-11/h11-15H,2-10H2,1H3.
What are the key properties of (3-methoxycyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate?
(3-methoxycyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 266.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 71899358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).