(2-ethylcyclohexen-1-yl) prop-2-enyl carbonate

C12H18O3 — CID 45094946

IUPAC(2-ethylcyclohexen-1-yl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1=C(CC)CCCC1
InChIInChI=1S/C12H18O3/c1-3-9-14-12(13)15-11-8-6-5-7-10(11)4-2/h3H,1,4-9H2,2H3
InChIKeyQVTZGNVBEXCXHX-UHFFFAOYSA-N
MW210.27 g/mol
LogP3.56
Rot. Bonds4

About (2-ethylcyclohexen-1-yl) prop-2-enyl carbonate

(2-ethylcyclohexen-1-yl) prop-2-enyl carbonate (PubChem CID 45094946) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (2-ethylcyclohexen-1-yl) prop-2-enyl carbonate.

Molecular Properties

Compound Name(2-ethylcyclohexen-1-yl) prop-2-enyl carbonate
PubChem CID45094946
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(2-ethylcyclohexen-1-yl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1=C(CC)CCCC1
InChIInChI=1S/C12H18O3/c1-3-9-14-12(13)15-11-8-6-5-7-10(11)4-2/h3H,1,4-9H2,2H3
InChIKeyQVTZGNVBEXCXHX-UHFFFAOYSA-N
XLogP3.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexen-1-yl) prop-2-enyl carbonate?
The IUPAC name of (2-ethylcyclohexen-1-yl) prop-2-enyl carbonate (CID 45094946) is (2-ethylcyclohexen-1-yl) prop-2-enyl carbonate.
What is the SMILES notation for (2-ethylcyclohexen-1-yl) prop-2-enyl carbonate?
The canonical SMILES for (2-ethylcyclohexen-1-yl) prop-2-enyl carbonate is C=CCOC(=O)OC1=C(CC)CCCC1.
What is the InChIKey of (2-ethylcyclohexen-1-yl) prop-2-enyl carbonate?
The InChIKey is QVTZGNVBEXCXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-9-14-12(13)15-11-8-6-5-7-10(11)4-2/h3H,1,4-9H2,2H3.
What are the key properties of (2-ethylcyclohexen-1-yl) prop-2-enyl carbonate?
(2-ethylcyclohexen-1-yl) prop-2-enyl carbonate has a molecular weight of 210.27 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexen-1-yl) prop-2-enyl carbonate is sourced from PubChem (CID 45094946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).