1-(cyclohexen-1-yl)ethenyl methyl carbonate

C10H14O3 — CID 13440041

IUPAC1-(cyclohexen-1-yl)ethenyl methyl carbonate
SMILESC=C(OC(=O)OC)C1=CCCCC1
InChIInChI=1S/C10H14O3/c1-8(13-10(11)12-2)9-6-4-3-5-7-9/h6H,1,3-5,7H2,2H3
InChIKeyCYRPNYGOLDICBP-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.78
Rot. Bonds2

About 1-(cyclohexen-1-yl)ethenyl methyl carbonate

1-(cyclohexen-1-yl)ethenyl methyl carbonate (PubChem CID 13440041) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)ethenyl methyl carbonate.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)ethenyl methyl carbonate
PubChem CID13440041
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1-(cyclohexen-1-yl)ethenyl methyl carbonate
SMILESC=C(OC(=O)OC)C1=CCCCC1
InChIInChI=1S/C10H14O3/c1-8(13-10(11)12-2)9-6-4-3-5-7-9/h6H,1,3-5,7H2,2H3
InChIKeyCYRPNYGOLDICBP-UHFFFAOYSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)ethenyl methyl carbonate?
The IUPAC name of 1-(cyclohexen-1-yl)ethenyl methyl carbonate (CID 13440041) is 1-(cyclohexen-1-yl)ethenyl methyl carbonate.
What is the SMILES notation for 1-(cyclohexen-1-yl)ethenyl methyl carbonate?
The canonical SMILES for 1-(cyclohexen-1-yl)ethenyl methyl carbonate is C=C(OC(=O)OC)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)ethenyl methyl carbonate?
The InChIKey is CYRPNYGOLDICBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-8(13-10(11)12-2)9-6-4-3-5-7-9/h6H,1,3-5,7H2,2H3.
What are the key properties of 1-(cyclohexen-1-yl)ethenyl methyl carbonate?
1-(cyclohexen-1-yl)ethenyl methyl carbonate has a molecular weight of 182.22 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)ethenyl methyl carbonate is sourced from PubChem (CID 13440041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).