prop-2-enyl (1S)-1,3-dimethyl-2-prop-2-enoxycarbonyloxycyclohex-2-ene-1-carboxylate

C16H22O5 — CID 101378066

IUPACprop-2-enyl (1S)-1,3-dimethyl-2-prop-2-enoxycarbonyloxycyclohex-2-ene-1-carboxylate
SMILESC=CCOC(=O)OC1=C(C)CCC[C@]1(C)C(=O)OCC=C
InChIInChI=1S/C16H22O5/c1-5-10-19-14(17)16(4)9-7-8-12(3)13(16)21-15(18)20-11-6-2/h5-6H,1-2,7-11H2,3-4H3/t16-/m0/s1
InChIKeyPFYAWHJWFHSNMZ-INIZCTEOSA-N
MW294.35 g/mol
LogP3.52
Rot. Bonds6

About prop-2-enyl (1S)-1,3-dimethyl-2-prop-2-enoxycarbonyloxycyclohex-2-ene-1-carboxylate

prop-2-enyl (1S)-1,3-dimethyl-2-prop-2-enoxycarbonyloxycyclohex-2-ene-1-carboxylate (PubChem CID 101378066) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is prop-2-enyl (1S)-1,3-dimethyl-2-prop-2-enoxycarbonyloxycyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (1S)-1,3-dimethyl-2-prop-2-enoxycarbonyloxycyclohex-2-ene-1-carboxylate
PubChem CID101378066
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Nameprop-2-enyl (1S)-1,3-dimethyl-2-prop-2-enoxycarbonyloxycyclohex-2-ene-1-carboxylate
SMILESC=CCOC(=O)OC1=C(C)CCC[C@]1(C)C(=O)OCC=C
InChIInChI=1S/C16H22O5/c1-5-10-19-14(17)16(4)9-7-8-12(3)13(16)21-15(18)20-11-6-2/h5-6H,1-2,7-11H2,3-4H3/t16-/m0/s1
InChIKeyPFYAWHJWFHSNMZ-INIZCTEOSA-N
XLogP3.52
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1E)-2-methylcycloocten-1-yl] prop-2-enyl carbonate
CID 45097845
bis(prop-2-enyl) 1,4-dimethyl-2,5-dioxocyclohexane-1,4-dicarboxylate
CID 24894479
prop-2-enyl 1,3-dimethyl-2-oxopiperidine-3-carboxylate
CID 155131391
(2-tert-butylcyclohexen-1-yl) prop-2-enyl carbonate
CID 101361397
prop-2-enyl 3,4-dimethyl-1-nitrocyclohex-3-ene-1-carboxylate
CID 102173572
ethyl 1-methyl-2-oxocyclopentane-1-carboxylate;iodomethane
CID 91535747
prop-2-enyl 2-oxo-1-pent-2-enylcyclopentane-1-carboxylate
CID 54103768
ethyl (1R,2E)-2-hydroxyimino-1-methylcyclohexane-1-carboxylate
CID 45089497
prop-2-enyl 1-bromocyclohexane-1-carboxylate
CID 135015067
ethyl (1S)-1-methyl-2-oxocyclohexane-1-carboxylate
CID 67188808
prop-2-enyl 1-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxocycloheptane-1-carboxylate
CID 121408911
prop-2-enyl 1-(4-methoxybenzoyl)-3-methyl-2-oxopiperidine-3-carboxylate
CID 53495095

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (1S)-1,3-dimethyl-2-prop-2-enoxycarbonyloxycyclohex-2-ene-1-carboxylate?
The IUPAC name of prop-2-enyl (1S)-1,3-dimethyl-2-prop-2-enoxycarbonyloxycyclohex-2-ene-1-carboxylate (CID 101378066) is prop-2-enyl (1S)-1,3-dimethyl-2-prop-2-enoxycarbonyloxycyclohex-2-ene-1-carboxylate.
What is the SMILES notation for prop-2-enyl (1S)-1,3-dimethyl-2-prop-2-enoxycarbonyloxycyclohex-2-ene-1-carboxylate?
The canonical SMILES for prop-2-enyl (1S)-1,3-dimethyl-2-prop-2-enoxycarbonyloxycyclohex-2-ene-1-carboxylate is C=CCOC(=O)OC1=C(C)CCC[C@]1(C)C(=O)OCC=C.
What is the InChIKey of prop-2-enyl (1S)-1,3-dimethyl-2-prop-2-enoxycarbonyloxycyclohex-2-ene-1-carboxylate?
The InChIKey is PFYAWHJWFHSNMZ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22O5/c1-5-10-19-14(17)16(4)9-7-8-12(3)13(16)21-15(18)20-11-6-2/h5-6H,1-2,7-11H2,3-4H3/t16-/m0/s1.
What are the key properties of prop-2-enyl (1S)-1,3-dimethyl-2-prop-2-enoxycarbonyloxycyclohex-2-ene-1-carboxylate?
prop-2-enyl (1S)-1,3-dimethyl-2-prop-2-enoxycarbonyloxycyclohex-2-ene-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (1S)-1,3-dimethyl-2-prop-2-enoxycarbonyloxycyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 101378066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).