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

C10H16O3 — CID 102371125

IUPAC1-(cyclohexen-1-yl)ethyl methyl carbonate
SMILESCOC(=O)OC(C)C1=CCCCC1
InChIInChI=1S/C10H16O3/c1-8(13-10(11)12-2)9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3
InChIKeyNRQBPSGTYPNISB-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.66
Rot. Bonds2

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

1-(cyclohexen-1-yl)ethyl methyl carbonate (PubChem CID 102371125) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)ethyl methyl carbonate.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)ethyl methyl carbonate
PubChem CID102371125
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name1-(cyclohexen-1-yl)ethyl methyl carbonate
SMILESCOC(=O)OC(C)C1=CCCCC1
InChIInChI=1S/C10H16O3/c1-8(13-10(11)12-2)9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3
InChIKeyNRQBPSGTYPNISB-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.66
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

methyl 2-(cyclohexen-1-yl)-2-methylsulfonyloxyacetate
CID 11831789
methyl cyclododecene-1-carboxylate
CID 54564642
ethyl 2-[(1E)-cyclodecen-1-yl]propanoate
CID 15353405
N-[(1R)-1-(cyclohexen-1-yl)-3-methyl-2-oxobutyl]-2-methylpropanamide
CID 176576543
ethyl 2-(cyclododecen-1-yl)propanoate
CID 57035955
ethyl 2-(cyclohepten-1-yl)propanoate
CID 15353402
[(R)-cyclohexen-1-yl(trimethylsilyl)methyl] N,N-di(propan-2-yl)carbamate
CID 10892321
1-[(2R)-butan-2-yl]cyclohexene
CID 13107632
diethyl 2-[(1R)-1-(cyclohexen-1-yl)ethyl]propanedioate
CID 11129313
1-(cyclopenten-1-yl)ethyl formate
CID 54445085
3-(cycloocten-1-yl)butanoic acid
CID 154246117
3-(cyclododecen-1-yl)-4-oxo-4-propan-2-yloxybutanoic acid
CID 154411669

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)ethyl methyl carbonate?
The IUPAC name of 1-(cyclohexen-1-yl)ethyl methyl carbonate (CID 102371125) is 1-(cyclohexen-1-yl)ethyl methyl carbonate.
What is the SMILES notation for 1-(cyclohexen-1-yl)ethyl methyl carbonate?
The canonical SMILES for 1-(cyclohexen-1-yl)ethyl methyl carbonate is COC(=O)OC(C)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)ethyl methyl carbonate?
The InChIKey is NRQBPSGTYPNISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(13-10(11)12-2)9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)ethyl methyl carbonate?
1-(cyclohexen-1-yl)ethyl methyl carbonate has a molecular weight of 184.24 g/mol, XLogP of 2.66, 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)ethyl methyl carbonate is sourced from PubChem (CID 102371125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).