[(1R,2R)-2-prop-2-enylcyclohexyl] formate

C10H16O2 — CID 162455563

IUPAC[(1R,2R)-2-prop-2-enylcyclohexyl] formate
SMILESC=CC[C@H]1CCCC[C@H]1OC=O
InChIInChI=1S/C10H16O2/c1-2-5-9-6-3-4-7-10(9)12-8-11/h2,8-10H,1,3-7H2/t9-,10+/m0/s1
InChIKeyQDYGRSBWSRTHPP-VHSXEESVSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds4

About [(1R,2R)-2-prop-2-enylcyclohexyl] formate

[(1R,2R)-2-prop-2-enylcyclohexyl] formate (PubChem CID 162455563) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is [(1R,2R)-2-prop-2-enylcyclohexyl] formate.

Molecular Properties

Compound Name[(1R,2R)-2-prop-2-enylcyclohexyl] formate
PubChem CID162455563
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name[(1R,2R)-2-prop-2-enylcyclohexyl] formate
SMILESC=CC[C@H]1CCCC[C@H]1OC=O
InChIInChI=1S/C10H16O2/c1-2-5-9-6-3-4-7-10(9)12-8-11/h2,8-10H,1,3-7H2/t9-,10+/m0/s1
InChIKeyQDYGRSBWSRTHPP-VHSXEESVSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
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'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-prop-2-enylcyclohexyl] formate?
The IUPAC name of [(1R,2R)-2-prop-2-enylcyclohexyl] formate (CID 162455563) is [(1R,2R)-2-prop-2-enylcyclohexyl] formate.
What is the SMILES notation for [(1R,2R)-2-prop-2-enylcyclohexyl] formate?
The canonical SMILES for [(1R,2R)-2-prop-2-enylcyclohexyl] formate is C=CC[C@H]1CCCC[C@H]1OC=O.
What is the InChIKey of [(1R,2R)-2-prop-2-enylcyclohexyl] formate?
The InChIKey is QDYGRSBWSRTHPP-VHSXEESVSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-5-9-6-3-4-7-10(9)12-8-11/h2,8-10H,1,3-7H2/t9-,10+/m0/s1.
What are the key properties of [(1R,2R)-2-prop-2-enylcyclohexyl] formate?
[(1R,2R)-2-prop-2-enylcyclohexyl] formate has a molecular weight of 168.24 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-prop-2-enylcyclohexyl] formate is sourced from PubChem (CID 162455563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).