methyl 2-(1-hydroxycyclopentyl)but-3-enoate

C10H16O3 — CID 13348229

IUPACmethyl 2-(1-hydroxycyclopentyl)but-3-enoate
SMILESC=CC(C(=O)OC)C1(O)CCCC1
InChIInChI=1S/C10H16O3/c1-3-8(9(11)13-2)10(12)6-4-5-7-10/h3,8,12H,1,4-7H2,2H3
InChIKeyKZXZWMVCHYQGGA-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.27
Rot. Bonds3

About methyl 2-(1-hydroxycyclopentyl)but-3-enoate

methyl 2-(1-hydroxycyclopentyl)but-3-enoate (PubChem CID 13348229) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is methyl 2-(1-hydroxycyclopentyl)but-3-enoate.

Molecular Properties

Compound Namemethyl 2-(1-hydroxycyclopentyl)but-3-enoate
PubChem CID13348229
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Namemethyl 2-(1-hydroxycyclopentyl)but-3-enoate
SMILESC=CC(C(=O)OC)C1(O)CCCC1
InChIInChI=1S/C10H16O3/c1-3-8(9(11)13-2)10(12)6-4-5-7-10/h3,8,12H,1,4-7H2,2H3
InChIKeyKZXZWMVCHYQGGA-UHFFFAOYSA-N
XLogP1.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 3-hydroxy-2,3-dimethylhept-6-enoate
CID 6421448
Ethyl 2-(1-hydroxycyclohexyl)but-3-enoate
CID 10242289
Ethyl 2-(1-hydroxycyclopentyl)-3-butenoate
CID 10330364
methyl (2R,3S)-2-ethenyl-3-hydroxy-3-methylpentanoate
CID 11116519
Ethyl 2-hydroxy-2-methyl-4-methylidenecyclopentane-1-carboxylate
CID 11805414
methyl (2S,3S)-2-ethenyl-3-hydroxy-3-methylpentanoate
CID 15321717
(2S,3R,4R,6S)-3-hydroxy-2,4,6-trimethyloct-7-enoic acid
CID 24754786
Methyl 2-(1-hydroxycyclohex-2-en-1-yl)propanoate
CID 66037166
(4S,5S,6S)-6-ethyl-4-hydroxy-5-methyl-4-prop-2-enyloxan-2-one
CID 71503716
(4R,5S,6S)-6-ethyl-4-hydroxy-5-methyl-4-prop-2-enyloxan-2-one
CID 71503717
(2S)-2-[(2S,5S,6S)-6-[(2R)-but-3-en-2-yl]-5-methyloxan-2-yl]propanoic acid
CID 101459009
methyl (2R,3S)-3-[(2S)-butan-2-yl]-3-hydroxy-2-methylhex-5-enoate
CID 121003627

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-hydroxycyclopentyl)but-3-enoate?
The IUPAC name of methyl 2-(1-hydroxycyclopentyl)but-3-enoate (CID 13348229) is methyl 2-(1-hydroxycyclopentyl)but-3-enoate.
What is the SMILES notation for methyl 2-(1-hydroxycyclopentyl)but-3-enoate?
The canonical SMILES for methyl 2-(1-hydroxycyclopentyl)but-3-enoate is C=CC(C(=O)OC)C1(O)CCCC1.
What is the InChIKey of methyl 2-(1-hydroxycyclopentyl)but-3-enoate?
The InChIKey is KZXZWMVCHYQGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-8(9(11)13-2)10(12)6-4-5-7-10/h3,8,12H,1,4-7H2,2H3.
What are the key properties of methyl 2-(1-hydroxycyclopentyl)but-3-enoate?
methyl 2-(1-hydroxycyclopentyl)but-3-enoate has a molecular weight of 184.24 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-hydroxycyclopentyl)but-3-enoate is sourced from PubChem (CID 13348229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).