[(3Z)-cyclooct-3-en-1-yl] methyl carbonate

C10H16O3 — CID 23092735

IUPAC[(3Z)-cyclooct-3-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1C/C=C\CCCC1
InChIInChI=1S/C10H16O3/c1-12-10(11)13-9-7-5-3-2-4-6-8-9/h3,5,9H,2,4,6-8H2,1H3/b5-3-
InChIKeyJAWHQCKPSXBDFT-HYXAFXHYSA-N
MW184.23 g/mol
LogP2.66
Rot. Bonds1

About [(3Z)-cyclooct-3-en-1-yl] methyl carbonate

[(3Z)-cyclooct-3-en-1-yl] methyl carbonate (PubChem CID 23092735) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is [(3Z)-cyclooct-3-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(3Z)-cyclooct-3-en-1-yl] methyl carbonate
PubChem CID23092735
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name[(3Z)-cyclooct-3-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1C/C=C\CCCC1
InChIInChI=1S/C10H16O3/c1-12-10(11)13-9-7-5-3-2-4-6-8-9/h3,5,9H,2,4,6-8H2,1H3/b5-3-
InChIKeyJAWHQCKPSXBDFT-HYXAFXHYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
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

Carbonic acid, 4-cycloocten-1-yl methyl ester
CID 5463762
Cyclooct-4-en-1-yl methyl carbonate
CID 54027559
[(2Z)-cyclooct-2-en-1-yl] methyl carbonate
CID 15550934
4-Acetoxycyclooct-1-ene
CID 13284099
[(3Z)-2,2-difluorocyclooct-3-en-1-yl] methyl carbonate
CID 146370502
(10Z)-1,3-dioxacycloheptadec-10-en-2-one
CID 70487909
[(1S,2Z)-cyclooct-2-en-1-yl] methyl carbonate
CID 102005455
(4S)-4-(methoxymethoxy)non-1-ene
CID 134836991
tert-butyl [(Z,5R)-nonadec-2-en-5-yl] carbonate
CID 155936197
4-(Methoxymethoxy)non-1-ene
CID 14592865
methyl [(E)-octadec-9-enyl] carbonate
CID 12731383
[(4Z)-8-methoxycarbonyloxycyclooct-4-en-1-yl] methyl carbonate
CID 18541560

Frequently Asked Questions

What is the IUPAC name of [(3Z)-cyclooct-3-en-1-yl] methyl carbonate?
The IUPAC name of [(3Z)-cyclooct-3-en-1-yl] methyl carbonate (CID 23092735) is [(3Z)-cyclooct-3-en-1-yl] methyl carbonate.
What is the SMILES notation for [(3Z)-cyclooct-3-en-1-yl] methyl carbonate?
The canonical SMILES for [(3Z)-cyclooct-3-en-1-yl] methyl carbonate is COC(=O)OC1C/C=C\CCCC1.
What is the InChIKey of [(3Z)-cyclooct-3-en-1-yl] methyl carbonate?
The InChIKey is JAWHQCKPSXBDFT-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H16O3/c1-12-10(11)13-9-7-5-3-2-4-6-8-9/h3,5,9H,2,4,6-8H2,1H3/b5-3-.
What are the key properties of [(3Z)-cyclooct-3-en-1-yl] methyl carbonate?
[(3Z)-cyclooct-3-en-1-yl] methyl carbonate has a molecular weight of 184.23 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-cyclooct-3-en-1-yl] methyl carbonate is sourced from PubChem (CID 23092735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).