methyl (1S,2R,3R)-3-ethenyl-2-hydroxy-2-methyl-1-penta-3,4-dienylcyclopentane-1-carboxylate

C15H22O3 — CID 129011744

IUPACmethyl (1S,2R,3R)-3-ethenyl-2-hydroxy-2-methyl-1-penta-3,4-dienylcyclopentane-1-carboxylate
SMILESC=C=CCC[C@]1(C(=O)OC)CC[C@H](C=C)[C@@]1(C)O
InChIInChI=1S/C15H22O3/c1-5-7-8-10-15(13(16)18-4)11-9-12(6-2)14(15,3)17/h6-7,12,17H,1-2,8-11H2,3-4H3/t12-,14+,15+/m0/s1
InChIKeyVYQDWSSSRQIPPD-NWANDNLSSA-N
MW250.34 g/mol
LogP2.61
Rot. Bonds5

About methyl (1S,2R,3R)-3-ethenyl-2-hydroxy-2-methyl-1-penta-3,4-dienylcyclopentane-1-carboxylate

methyl (1S,2R,3R)-3-ethenyl-2-hydroxy-2-methyl-1-penta-3,4-dienylcyclopentane-1-carboxylate (PubChem CID 129011744) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is methyl (1S,2R,3R)-3-ethenyl-2-hydroxy-2-methyl-1-penta-3,4-dienylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2R,3R)-3-ethenyl-2-hydroxy-2-methyl-1-penta-3,4-dienylcyclopentane-1-carboxylate
PubChem CID129011744
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Namemethyl (1S,2R,3R)-3-ethenyl-2-hydroxy-2-methyl-1-penta-3,4-dienylcyclopentane-1-carboxylate
SMILESC=C=CCC[C@]1(C(=O)OC)CC[C@H](C=C)[C@@]1(C)O
InChIInChI=1S/C15H22O3/c1-5-7-8-10-15(13(16)18-4)11-9-12(6-2)14(15,3)17/h6-7,12,17H,1-2,8-11H2,3-4H3/t12-,14+,15+/m0/s1
InChIKeyVYQDWSSSRQIPPD-NWANDNLSSA-N
XLogP2.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (1S,2R,3R)-3-ethenyl-2-hydroxy-2-methyl-1-penta-3,4-dienylcyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (1S,3aR,4S,5S,6aR)-1-but-3-enyl-5-ethenyl-4-ethyl-6a-hydroxy-2,3,3a,4,5,6-hexahydropentalene-1-carboxylate
CID 134963128
dimethyl 2-ethenylcyclopentane-1,1-dicarboxylate
CID 10703747
dimethyl 2-ethenylcyclopropane-1,1-dicarboxylate
CID 10464992
methyl 7-prop-2-enylbicyclo[2.2.1]heptane-7-carboxylate
CID 45098783
methyl 5,5,8a-trimethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1-carboxylate
CID 70446743
methyl 1-but-3-enylcyclopentane-1-carboxylate;methyl cyclopentanecarboxylate
CID 158701514
methyl 2-ethenyl-5-oxo-1-(3-oxobutyl)cyclopentane-1-carboxylate
CID 24977081
methyl 2-ethenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 10856457
methyl 2-ethenyl-1-(methoxycarbonylamino)cyclopropane-1-carboxylate
CID 73231611
methane;methyl 2-ethenyl-1-(methoxyamino)cyclopropane-1-carboxylate
CID 143405073
methyl 2-ethyl-1-methyl-6-prop-2-enylcyclohexane-1-carboxylate
CID 139497861
trans-methyl (1R,2S)-2-ethenyl-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxylate
CID 58938983

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2R,3R)-3-ethenyl-2-hydroxy-2-methyl-1-penta-3,4-dienylcyclopentane-1-carboxylate?
The IUPAC name of methyl (1S,2R,3R)-3-ethenyl-2-hydroxy-2-methyl-1-penta-3,4-dienylcyclopentane-1-carboxylate (CID 129011744) is methyl (1S,2R,3R)-3-ethenyl-2-hydroxy-2-methyl-1-penta-3,4-dienylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1S,2R,3R)-3-ethenyl-2-hydroxy-2-methyl-1-penta-3,4-dienylcyclopentane-1-carboxylate?
The canonical SMILES for methyl (1S,2R,3R)-3-ethenyl-2-hydroxy-2-methyl-1-penta-3,4-dienylcyclopentane-1-carboxylate is C=C=CCC[C@]1(C(=O)OC)CC[C@H](C=C)[C@@]1(C)O.
What is the InChIKey of methyl (1S,2R,3R)-3-ethenyl-2-hydroxy-2-methyl-1-penta-3,4-dienylcyclopentane-1-carboxylate?
The InChIKey is VYQDWSSSRQIPPD-NWANDNLSSA-N. The full InChI is InChI=1S/C15H22O3/c1-5-7-8-10-15(13(16)18-4)11-9-12(6-2)14(15,3)17/h6-7,12,17H,1-2,8-11H2,3-4H3/t12-,14+,15+/m0/s1.
What are the key properties of methyl (1S,2R,3R)-3-ethenyl-2-hydroxy-2-methyl-1-penta-3,4-dienylcyclopentane-1-carboxylate?
methyl (1S,2R,3R)-3-ethenyl-2-hydroxy-2-methyl-1-penta-3,4-dienylcyclopentane-1-carboxylate has a molecular weight of 250.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2R,3R)-3-ethenyl-2-hydroxy-2-methyl-1-penta-3,4-dienylcyclopentane-1-carboxylate is sourced from PubChem (CID 129011744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).