Cyclohex-3-en-1-ylmethyl ethyl carbonate

C10H16O3 — CID 132214606

IUPACcyclohex-3-en-1-ylmethyl ethyl carbonate
SMILESCCOC(=O)OCC1CCC=CC1
InChIInChI=1S/C10H16O3/c1-2-12-10(11)13-8-9-6-4-3-5-7-9/h3-4,9H,2,5-8H2,1H3
InChIKeyKACWWSZKQXTZHR-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.70
Rot. Bonds5

About Cyclohex-3-en-1-ylmethyl ethyl carbonate

Cyclohex-3-en-1-ylmethyl ethyl carbonate (PubChem CID 132214606) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is cyclohex-3-en-1-ylmethyl ethyl carbonate.

Molecular Properties

Compound NameCyclohex-3-en-1-ylmethyl ethyl carbonate
PubChem CID132214606
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namecyclohex-3-en-1-ylmethyl ethyl carbonate
SMILESCCOC(=O)OCC1CCC=CC1
InChIInChI=1S/C10H16O3/c1-2-12-10(11)13-8-9-6-4-3-5-7-9/h3-4,9H,2,5-8H2,1H3
InChIKeyKACWWSZKQXTZHR-UHFFFAOYSA-N
XLogP2.70
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity187

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexene, 4-(dimethoxymethyl)-
CID 111013
3-Cyclohexene-1-methanol, 6-methyl-, acetate
CID 144399
Cyclohexen-4-methanol, acetate
CID 526662
3,7-Dimethyloct-6-enyl ethyl carbonate
CID 15218281
Bis(3-cyclohexen-1-ylmethoxy)methane
CID 57227953
Cyclohex-3-ene-1-methyl formate
CID 3017931
4-(Diethoxymethyl)cyclohexene
CID 227857
3,7-Dimethyloct-6-enyl isobutyl carbonate
CID 91711734
Cyclohex-3-en-1-ylmethyl propan-2-yl carbonate
CID 132214574
Cyclohex-3-en-1-ylmethyl propyl carbonate
CID 132214603
Cyclohex-3-en-1-ylmethyl methyl carbonate
CID 132214613
Cyclohex-3-en-1-ylmethyl 2-methylpropyl carbonate
CID 132214624

Frequently Asked Questions

What is the IUPAC name of Cyclohex-3-en-1-ylmethyl ethyl carbonate?
The IUPAC name of Cyclohex-3-en-1-ylmethyl ethyl carbonate (CID 132214606) is cyclohex-3-en-1-ylmethyl ethyl carbonate.
What is the SMILES notation for Cyclohex-3-en-1-ylmethyl ethyl carbonate?
The canonical SMILES for Cyclohex-3-en-1-ylmethyl ethyl carbonate is CCOC(=O)OCC1CCC=CC1.
What is the InChIKey of Cyclohex-3-en-1-ylmethyl ethyl carbonate?
The InChIKey is KACWWSZKQXTZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-12-10(11)13-8-9-6-4-3-5-7-9/h3-4,9H,2,5-8H2,1H3.
What are the key properties of Cyclohex-3-en-1-ylmethyl ethyl carbonate?
Cyclohex-3-en-1-ylmethyl ethyl carbonate has a molecular weight of 184.23 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Cyclohex-3-en-1-ylmethyl ethyl carbonate is sourced from PubChem (CID 132214606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).