[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] formate

C11H16O2 — CID 6429196

IUPAC[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] formate
SMILESC=C(C)[C@H]1CC=C(C)[C@H](OC=O)C1
InChIInChI=1S/C11H16O2/c1-8(2)10-5-4-9(3)11(6-10)13-7-12/h4,7,10-11H,1,5-6H2,2-3H3/t10-,11+/m0/s1
InChIKeyBPBPWBGJZQBEKD-WDEREUQCSA-N
MW180.25 g/mol
LogP2.46
Rot. Bonds3

About [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] formate

[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] formate (PubChem CID 6429196) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] formate.

Molecular Properties

Compound Name[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] formate
PubChem CID6429196
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] formate
SMILESC=C(C)[C@H]1CC=C(C)[C@H](OC=O)C1
InChIInChI=1S/C11H16O2/c1-8(2)10-5-4-9(3)11(6-10)13-7-12/h4,7,10-11H,1,5-6H2,2-3H3/t10-,11+/m0/s1
InChIKeyBPBPWBGJZQBEKD-WDEREUQCSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-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 [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] formate?
The IUPAC name of [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] formate (CID 6429196) is [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] formate.
What is the SMILES notation for [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] formate?
The canonical SMILES for [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] formate is C=C(C)[C@H]1CC=C(C)[C@H](OC=O)C1.
What is the InChIKey of [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] formate?
The InChIKey is BPBPWBGJZQBEKD-WDEREUQCSA-N. The full InChI is InChI=1S/C11H16O2/c1-8(2)10-5-4-9(3)11(6-10)13-7-12/h4,7,10-11H,1,5-6H2,2-3H3/t10-,11+/m0/s1.
What are the key properties of [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] formate?
[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] formate has a molecular weight of 180.25 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] formate is sourced from PubChem (CID 6429196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).