[(1E)-2-methylcycloocten-1-yl] prop-2-enyl carbonate

C13H20O3 — CID 45097845

IUPAC[(1E)-2-methylcycloocten-1-yl] prop-2-enyl carbonate
SMILESC=CCOC(=O)O/C1=C(\C)CCCCCC1
InChIInChI=1S/C13H20O3/c1-3-10-15-13(14)16-12-9-7-5-4-6-8-11(12)2/h3H,1,4-10H2,2H3/b12-11+
InChIKeyMIKXYZKZPFTSQU-VAWYXSNFSA-N
MW224.30 g/mol
LogP3.95
Rot. Bonds3

About [(1E)-2-methylcycloocten-1-yl] prop-2-enyl carbonate

[(1E)-2-methylcycloocten-1-yl] prop-2-enyl carbonate (PubChem CID 45097845) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is [(1E)-2-methylcycloocten-1-yl] prop-2-enyl carbonate.

Molecular Properties

Compound Name[(1E)-2-methylcycloocten-1-yl] prop-2-enyl carbonate
PubChem CID45097845
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name[(1E)-2-methylcycloocten-1-yl] prop-2-enyl carbonate
SMILESC=CCOC(=O)O/C1=C(\C)CCCCCC1
InChIInChI=1S/C13H20O3/c1-3-10-15-13(14)16-12-9-7-5-4-6-8-11(12)2/h3H,1,4-10H2,2H3/b12-11+
InChIKeyMIKXYZKZPFTSQU-VAWYXSNFSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.95
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

ethyl (2-methylcyclohexen-1-yl) carbonate
CID 12592129
(2-tert-butylcyclohexen-1-yl) prop-2-enyl carbonate
CID 101361397
prop-2-enyl (1S)-1,3-dimethyl-2-prop-2-enoxycarbonyloxycyclohex-2-ene-1-carboxylate
CID 101378066
bis(prop-2-enyl) carbonate;ethene
CID 87465968
iodo prop-2-enyl carbonate
CID 87691823
bis(prop-2-enyl) carbonate;isocyanic acid
CID 88769513
(2-prop-2-enoxycarbonyloxycyclobutyl) prop-2-enyl carbonate
CID 67366069
cyclododecyl prop-2-enyl carbonate
CID 13272703
cyclohexyl prop-2-enyl carbonate
CID 14917718
[(Z)-1-(cyclohexen-1-yl)prop-1-enyl] prop-2-enyl carbonate
CID 101385200
[3-[tert-butyl(dimethyl)silyl]oxycyclohepten-1-yl] prop-2-enyl carbonate
CID 117070940
(2-methyl-5-phenylmethoxycyclohexa-1,5-dien-1-yl) prop-2-enyl carbonate
CID 102513729

Frequently Asked Questions

What is the IUPAC name of [(1E)-2-methylcycloocten-1-yl] prop-2-enyl carbonate?
The IUPAC name of [(1E)-2-methylcycloocten-1-yl] prop-2-enyl carbonate (CID 45097845) is [(1E)-2-methylcycloocten-1-yl] prop-2-enyl carbonate.
What is the SMILES notation for [(1E)-2-methylcycloocten-1-yl] prop-2-enyl carbonate?
The canonical SMILES for [(1E)-2-methylcycloocten-1-yl] prop-2-enyl carbonate is C=CCOC(=O)O/C1=C(\C)CCCCCC1.
What is the InChIKey of [(1E)-2-methylcycloocten-1-yl] prop-2-enyl carbonate?
The InChIKey is MIKXYZKZPFTSQU-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H20O3/c1-3-10-15-13(14)16-12-9-7-5-4-6-8-11(12)2/h3H,1,4-10H2,2H3/b12-11+.
What are the key properties of [(1E)-2-methylcycloocten-1-yl] prop-2-enyl carbonate?
[(1E)-2-methylcycloocten-1-yl] prop-2-enyl carbonate has a molecular weight of 224.30 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-2-methylcycloocten-1-yl] prop-2-enyl carbonate is sourced from PubChem (CID 45097845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).