cyclohexyl prop-2-enyl carbonate

C10H16O3 — CID 14917718

IUPACcyclohexyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1CCCCC1
InChIInChI=1S/C10H16O3/c1-2-8-12-10(11)13-9-6-4-3-5-7-9/h2,9H,1,3-8H2
InChIKeyFDNDILYEXVOGEO-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.66
Rot. Bonds3

About cyclohexyl prop-2-enyl carbonate

cyclohexyl prop-2-enyl carbonate (PubChem CID 14917718) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is cyclohexyl prop-2-enyl carbonate.

Molecular Properties

Compound Namecyclohexyl prop-2-enyl carbonate
PubChem CID14917718
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namecyclohexyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1CCCCC1
InChIInChI=1S/C10H16O3/c1-2-8-12-10(11)13-9-6-4-3-5-7-9/h2,9H,1,3-8H2
InChIKeyFDNDILYEXVOGEO-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclohexyl prop-2-enyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclododecyl prop-2-enyl carbonate
CID 13272703
(2-prop-2-enoxycarbonyloxycyclobutyl) prop-2-enyl carbonate
CID 67366069
cyclohexyl hydroxymethyl carbonate
CID 54112347
dicyclononyl carbonate
CID 139618210
cycloheptyl iodomethyl carbonate
CID 86119288
prop-2-enyl cyclododecanecarboxylate
CID 139624721
cyclodecyl cyclodecyloxycarbonyloxy carbonate
CID 139793916
2-cyclohexyloxycarbonylbut-3-enoic acid
CID 68511250
[3,5-bis(cyclohexyloxycarbonyloxy)cyclohexyl] cyclohexyl carbonate
CID 23066782
but-2-ene-1,4-diol;cyclohexyl cyclohexyloxycarbonyl carbonate
CID 158060696
(1-benzylpiperidin-4-yl) prop-2-enyl carbonate
CID 11242829
bis(prop-2-enyl) carbonate;ethene
CID 87465968

Frequently Asked Questions

What is the IUPAC name of cyclohexyl prop-2-enyl carbonate?
The IUPAC name of cyclohexyl prop-2-enyl carbonate (CID 14917718) is cyclohexyl prop-2-enyl carbonate.
What is the SMILES notation for cyclohexyl prop-2-enyl carbonate?
The canonical SMILES for cyclohexyl prop-2-enyl carbonate is C=CCOC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl prop-2-enyl carbonate?
The InChIKey is FDNDILYEXVOGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-8-12-10(11)13-9-6-4-3-5-7-9/h2,9H,1,3-8H2.
What are the key properties of cyclohexyl prop-2-enyl carbonate?
cyclohexyl prop-2-enyl carbonate has a molecular weight of 184.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl prop-2-enyl carbonate is sourced from PubChem (CID 14917718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).