(6-methylcyclohexen-1-yl) prop-2-enyl carbonate

C11H16O3 — CID 12848611

IUPAC(6-methylcyclohexen-1-yl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1=CCCCC1C
InChIInChI=1S/C11H16O3/c1-3-8-13-11(12)14-10-7-5-4-6-9(10)2/h3,7,9H,1,4-6,8H2,2H3
InChIKeyNXSXBDOPGALRJE-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.03
Rot. Bonds3

About (6-methylcyclohexen-1-yl) prop-2-enyl carbonate

(6-methylcyclohexen-1-yl) prop-2-enyl carbonate (PubChem CID 12848611) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (6-methylcyclohexen-1-yl) prop-2-enyl carbonate.

Molecular Properties

Compound Name(6-methylcyclohexen-1-yl) prop-2-enyl carbonate
PubChem CID12848611
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(6-methylcyclohexen-1-yl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1=CCCCC1C
InChIInChI=1S/C11H16O3/c1-3-8-13-11(12)14-10-7-5-4-6-9(10)2/h3,7,9H,1,4-6,8H2,2H3
InChIKeyNXSXBDOPGALRJE-UHFFFAOYSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.03
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 (6-methylcyclohexen-1-yl) prop-2-enyl carbonate?
The IUPAC name of (6-methylcyclohexen-1-yl) prop-2-enyl carbonate (CID 12848611) is (6-methylcyclohexen-1-yl) prop-2-enyl carbonate.
What is the SMILES notation for (6-methylcyclohexen-1-yl) prop-2-enyl carbonate?
The canonical SMILES for (6-methylcyclohexen-1-yl) prop-2-enyl carbonate is C=CCOC(=O)OC1=CCCCC1C.
What is the InChIKey of (6-methylcyclohexen-1-yl) prop-2-enyl carbonate?
The InChIKey is NXSXBDOPGALRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-8-13-11(12)14-10-7-5-4-6-9(10)2/h3,7,9H,1,4-6,8H2,2H3.
What are the key properties of (6-methylcyclohexen-1-yl) prop-2-enyl carbonate?
(6-methylcyclohexen-1-yl) prop-2-enyl carbonate has a molecular weight of 196.25 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylcyclohexen-1-yl) prop-2-enyl carbonate is sourced from PubChem (CID 12848611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).