(1-prop-2-enylcyclohexyl) formate

C10H16O2 — CID 12671777

IUPAC(1-prop-2-enylcyclohexyl) formate
SMILESC=CCC1(OC=O)CCCCC1
InChIInChI=1S/C10H16O2/c1-2-6-10(12-9-11)7-4-3-5-8-10/h2,9H,1,3-8H2
InChIKeyGGDOSMQTYOWQQX-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds4

About (1-prop-2-enylcyclohexyl) formate

(1-prop-2-enylcyclohexyl) formate (PubChem CID 12671777) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1-prop-2-enylcyclohexyl) formate.

Molecular Properties

Compound Name(1-prop-2-enylcyclohexyl) formate
PubChem CID12671777
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1-prop-2-enylcyclohexyl) formate
SMILESC=CCC1(OC=O)CCCCC1
InChIInChI=1S/C10H16O2/c1-2-6-10(12-9-11)7-4-3-5-8-10/h2,9H,1,3-8H2
InChIKeyGGDOSMQTYOWQQX-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
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 (1-prop-2-enylcyclohexyl) formate?
The IUPAC name of (1-prop-2-enylcyclohexyl) formate (CID 12671777) is (1-prop-2-enylcyclohexyl) formate.
What is the SMILES notation for (1-prop-2-enylcyclohexyl) formate?
The canonical SMILES for (1-prop-2-enylcyclohexyl) formate is C=CCC1(OC=O)CCCCC1.
What is the InChIKey of (1-prop-2-enylcyclohexyl) formate?
The InChIKey is GGDOSMQTYOWQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-6-10(12-9-11)7-4-3-5-8-10/h2,9H,1,3-8H2.
What are the key properties of (1-prop-2-enylcyclohexyl) formate?
(1-prop-2-enylcyclohexyl) formate has a molecular weight of 168.24 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-2-enylcyclohexyl) formate is sourced from PubChem (CID 12671777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).