methyl 2-hydroxy-1-prop-2-enylcyclopentane-1-carboxylate

C10H16O3 — CID 548912

IUPACmethyl 2-hydroxy-1-prop-2-enylcyclopentane-1-carboxylate
SMILESC=CCC1(C(=O)OC)CCCC1O
InChIInChI=1S/C10H16O3/c1-3-6-10(9(12)13-2)7-4-5-8(10)11/h3,8,11H,1,4-7H2,2H3
InChIKeyHOHSCRZFFHKKQI-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.27
Rot. Bonds3

About methyl 2-hydroxy-1-prop-2-enylcyclopentane-1-carboxylate

methyl 2-hydroxy-1-prop-2-enylcyclopentane-1-carboxylate (PubChem CID 548912) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 2-hydroxy-1-prop-2-enylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxy-1-prop-2-enylcyclopentane-1-carboxylate
PubChem CID548912
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 2-hydroxy-1-prop-2-enylcyclopentane-1-carboxylate
SMILESC=CCC1(C(=O)OC)CCCC1O
InChIInChI=1S/C10H16O3/c1-3-6-10(9(12)13-2)7-4-5-8(10)11/h3,8,11H,1,4-7H2,2H3
InChIKeyHOHSCRZFFHKKQI-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 ≤ 500184.23
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

AG-G-84719
CID 11367120
cis-methyl (1R,2R)-1-ethenyl-2-hydroxycyclopentane-1-carboxylate
CID 10888341
trans-methyl (1R,2S)-1-ethenyl-2-hydroxycyclopentane-1-carboxylate
CID 10975915
(2r,3s)-2-Allyl-3-hydroxy-2-methylcyclopentanone
CID 11159432
cis-(2R,3R)-3-hydroxy-2-methyl-2-prop-2-enylcyclopentan-1-one
CID 13407451
3-Hydroxy-2,2-dimethyloct-7-enoic acid
CID 91223597
Methyl 3-hydroxy-2-(2-methylpent-4-en-2-yl)hept-6-enoate
CID 101899338
1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone
CID 102051003
methyl (3S,4R)-3-hydroxy-4-methylhept-6-enoate
CID 102528488
isopropyl (1S,2R,3S)-1-(but-3-en-1-yl)-2-hydroxy-2,3-dimethylcyclopentane-1-carboxylate
CID 129011745
methyl (1R)-1-ethyl-2-hydroxycyclopentane-1-carboxylate
CID 164673501
cis-ethyl (1R,2R)-1-prop-2-enyl-2-(2,2,2-trifluoroacetyl)oxycyclopentane-1-carboxylate
CID 101067223

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-1-prop-2-enylcyclopentane-1-carboxylate?
The IUPAC name of methyl 2-hydroxy-1-prop-2-enylcyclopentane-1-carboxylate (CID 548912) is methyl 2-hydroxy-1-prop-2-enylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-hydroxy-1-prop-2-enylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-hydroxy-1-prop-2-enylcyclopentane-1-carboxylate is C=CCC1(C(=O)OC)CCCC1O.
What is the InChIKey of methyl 2-hydroxy-1-prop-2-enylcyclopentane-1-carboxylate?
The InChIKey is HOHSCRZFFHKKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-6-10(9(12)13-2)7-4-5-8(10)11/h3,8,11H,1,4-7H2,2H3.
What are the key properties of methyl 2-hydroxy-1-prop-2-enylcyclopentane-1-carboxylate?
methyl 2-hydroxy-1-prop-2-enylcyclopentane-1-carboxylate has a molecular weight of 184.23 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-hydroxy-1-prop-2-enylcyclopentane-1-carboxylate is sourced from PubChem (CID 548912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).