[(1S)-cyclohex-2-en-1-yl] methyl carbonate

C8H12O3 — CID 100924290

IUPAC[(1S)-cyclohex-2-en-1-yl] methyl carbonate
SMILESCOC(=O)O[C@@H]1C=CCCC1
InChIInChI=1S/C8H12O3/c1-10-8(9)11-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3/t7-/m1/s1
InChIKeyRSYZTDLLQVZHMN-SSDOTTSWSA-N
MW156.18 g/mol
LogP1.88
Rot. Bonds1

About [(1S)-cyclohex-2-en-1-yl] methyl carbonate

[(1S)-cyclohex-2-en-1-yl] methyl carbonate (PubChem CID 100924290) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is [(1S)-cyclohex-2-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(1S)-cyclohex-2-en-1-yl] methyl carbonate
PubChem CID100924290
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name[(1S)-cyclohex-2-en-1-yl] methyl carbonate
SMILESCOC(=O)O[C@@H]1C=CCCC1
InChIInChI=1S/C8H12O3/c1-10-8(9)11-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3/t7-/m1/s1
InChIKeyRSYZTDLLQVZHMN-SSDOTTSWSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.88
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

2-Cyclohexen-1-one dimethylketal
CID 573595
Methyl 2-cyclohex-enyl acetate
CID 10986464
[(E)-hept-4-en-3-yl] methyl carbonate
CID 11062874
Cyclohex-2-en-1-yl methyl carbonate
CID 11073660
3-Acetoxycyclohexene
CID 11116148
Cyclohept-2-enyl methyl carbonate
CID 11378741
[(2Z)-cyclooct-2-en-1-yl] methyl carbonate
CID 15550934
ethyl [(E)-pent-3-en-2-yl] carbonate
CID 10877392
[(1R)-cyclohex-2-en-1-yl] acetate
CID 11040783
Cyclohex-2-en-1-yl ethyl carbonate
CID 11041142
[(1S)-cyclohex-2-en-1-yl] acetate
CID 11263533
Tert-butyl cyclopent-2-en-1-yl carbonate
CID 11469477

Frequently Asked Questions

What is the IUPAC name of [(1S)-cyclohex-2-en-1-yl] methyl carbonate?
The IUPAC name of [(1S)-cyclohex-2-en-1-yl] methyl carbonate (CID 100924290) is [(1S)-cyclohex-2-en-1-yl] methyl carbonate.
What is the SMILES notation for [(1S)-cyclohex-2-en-1-yl] methyl carbonate?
The canonical SMILES for [(1S)-cyclohex-2-en-1-yl] methyl carbonate is COC(=O)O[C@@H]1C=CCCC1.
What is the InChIKey of [(1S)-cyclohex-2-en-1-yl] methyl carbonate?
The InChIKey is RSYZTDLLQVZHMN-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12O3/c1-10-8(9)11-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3/t7-/m1/s1.
What are the key properties of [(1S)-cyclohex-2-en-1-yl] methyl carbonate?
[(1S)-cyclohex-2-en-1-yl] methyl carbonate has a molecular weight of 156.18 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-cyclohex-2-en-1-yl] methyl carbonate is sourced from PubChem (CID 100924290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).