[(Z)-1-(cyclohexen-1-yl)prop-1-enyl] prop-2-enyl carbonate

C13H18O3 — CID 101385200

IUPAC[(Z)-1-(cyclohexen-1-yl)prop-1-enyl] prop-2-enyl carbonate
SMILESC=CCOC(=O)O/C(=C\C)C1=CCCCC1
InChIInChI=1S/C13H18O3/c1-3-10-15-13(14)16-12(4-2)11-8-6-5-7-9-11/h3-4,8H,1,5-7,9-10H2,2H3/b12-4-
InChIKeyPECNYQCZLNJOBN-QCDXTXTGSA-N
MW222.28 g/mol
LogP3.73
Rot. Bonds4

About [(Z)-1-(cyclohexen-1-yl)prop-1-enyl] prop-2-enyl carbonate

[(Z)-1-(cyclohexen-1-yl)prop-1-enyl] prop-2-enyl carbonate (PubChem CID 101385200) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is [(Z)-1-(cyclohexen-1-yl)prop-1-enyl] prop-2-enyl carbonate.

Molecular Properties

Compound Name[(Z)-1-(cyclohexen-1-yl)prop-1-enyl] prop-2-enyl carbonate
PubChem CID101385200
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name[(Z)-1-(cyclohexen-1-yl)prop-1-enyl] prop-2-enyl carbonate
SMILESC=CCOC(=O)O/C(=C\C)C1=CCCCC1
InChIInChI=1S/C13H18O3/c1-3-10-15-13(14)16-12(4-2)11-8-6-5-7-9-11/h3-4,8H,1,5-7,9-10H2,2H3/b12-4-
InChIKeyPECNYQCZLNJOBN-QCDXTXTGSA-N
XLogP3.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enoic acid;prop-2-enyl cyclopentene-1-carboxylate
CID 66692212
1-(cyclohexen-1-yl)-2-(prop-2-enylamino)ethanone
CID 106655515
ethyl cycloundecene-1-carboxylate
CID 154164177
1-(cyclohexen-1-yl)hex-5-en-1-one
CID 15531059
hydroxymethyl cyclohexene-1-carboxylate
CID 91001163
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
(2E,4Z)-1-(cyclohexen-1-yl)-2-methylhepta-2,4,6-trien-1-one
CID 166648439
[(1E)-2-methylcycloocten-1-yl] prop-2-enyl carbonate
CID 45097845
ethyl 2-(cyclohepten-1-yl)-2-oxoacetate
CID 14387210
cycloheptene-1-carboxamide
CID 22261654
[(Z)-2-fluoro-1-phenylprop-1-enyl] prop-2-enyl carbonate
CID 102473617
methyl cyclododecene-1-carboxylate
CID 54564642

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(cyclohexen-1-yl)prop-1-enyl] prop-2-enyl carbonate?
The IUPAC name of [(Z)-1-(cyclohexen-1-yl)prop-1-enyl] prop-2-enyl carbonate (CID 101385200) is [(Z)-1-(cyclohexen-1-yl)prop-1-enyl] prop-2-enyl carbonate.
What is the SMILES notation for [(Z)-1-(cyclohexen-1-yl)prop-1-enyl] prop-2-enyl carbonate?
The canonical SMILES for [(Z)-1-(cyclohexen-1-yl)prop-1-enyl] prop-2-enyl carbonate is C=CCOC(=O)O/C(=C\C)C1=CCCCC1.
What is the InChIKey of [(Z)-1-(cyclohexen-1-yl)prop-1-enyl] prop-2-enyl carbonate?
The InChIKey is PECNYQCZLNJOBN-QCDXTXTGSA-N. The full InChI is InChI=1S/C13H18O3/c1-3-10-15-13(14)16-12(4-2)11-8-6-5-7-9-11/h3-4,8H,1,5-7,9-10H2,2H3/b12-4-.
What are the key properties of [(Z)-1-(cyclohexen-1-yl)prop-1-enyl] prop-2-enyl carbonate?
[(Z)-1-(cyclohexen-1-yl)prop-1-enyl] prop-2-enyl carbonate has a molecular weight of 222.28 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(cyclohexen-1-yl)prop-1-enyl] prop-2-enyl carbonate is sourced from PubChem (CID 101385200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).