(1-methylcyclopentyl) 3-hydroxy-2-methylprop-2-enoate

C10H16O3 — CID 174731206

IUPAC(1-methylcyclopentyl) 3-hydroxy-2-methylprop-2-enoate
SMILESCC(=CO)C(=O)OC1(C)CCCC1
InChIInChI=1S/C10H16O3/c1-8(7-11)9(12)13-10(2)5-3-4-6-10/h7,11H,3-6H2,1-2H3
InChIKeyKOCBCDAJJGQMEZ-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.32
Rot. Bonds2

About (1-methylcyclopentyl) 3-hydroxy-2-methylprop-2-enoate

(1-methylcyclopentyl) 3-hydroxy-2-methylprop-2-enoate (PubChem CID 174731206) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is (1-methylcyclopentyl) 3-hydroxy-2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-methylcyclopentyl) 3-hydroxy-2-methylprop-2-enoate
PubChem CID174731206
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name(1-methylcyclopentyl) 3-hydroxy-2-methylprop-2-enoate
SMILESCC(=CO)C(=O)OC1(C)CCCC1
InChIInChI=1S/C10H16O3/c1-8(7-11)9(12)13-10(2)5-3-4-6-10/h7,11H,3-6H2,1-2H3
InChIKeyKOCBCDAJJGQMEZ-UHFFFAOYSA-N
XLogP2.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(1-methylcyclohexyl) oxalate
CID 154101354
(1-methylcyclobutyl) acetate
CID 13396130
(1-methylcyclohexyl) 2-methylprop-2-enoate;2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoic acid
CID 158058117
(1-methylcyclohexyl) acetate;propane
CID 143035856
(1-methylcyclodecyl) 2-(acetyloxymethyl)prop-2-enoate
CID 58757971
(1-methylcyclohexyl) 1-formyloxycyclohexane-1-carboxylate
CID 91801893
(E)-4-(1-methylcyclopentyl)oxy-4-oxobut-2-enoic acid
CID 67065086
methyl (1-methylcycloheptyl) carbonate
CID 172553116
3-(1-methylcyclopentyl)oxy-3-oxopropanoic acid
CID 170442705
1-(2,5-dimethylhexa-2,4-dien-3-yloxy)-1-methylcyclohexane
CID 89451208
(E)-4-(1-methylcyclobutyl)oxy-4-oxobut-2-enoic acid
CID 162734054
bis(1-methylcyclohexyl) cyclohexane-1,2-dicarboxylate
CID 67386864

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopentyl) 3-hydroxy-2-methylprop-2-enoate?
The IUPAC name of (1-methylcyclopentyl) 3-hydroxy-2-methylprop-2-enoate (CID 174731206) is (1-methylcyclopentyl) 3-hydroxy-2-methylprop-2-enoate.
What is the SMILES notation for (1-methylcyclopentyl) 3-hydroxy-2-methylprop-2-enoate?
The canonical SMILES for (1-methylcyclopentyl) 3-hydroxy-2-methylprop-2-enoate is CC(=CO)C(=O)OC1(C)CCCC1.
What is the InChIKey of (1-methylcyclopentyl) 3-hydroxy-2-methylprop-2-enoate?
The InChIKey is KOCBCDAJJGQMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(7-11)9(12)13-10(2)5-3-4-6-10/h7,11H,3-6H2,1-2H3.
What are the key properties of (1-methylcyclopentyl) 3-hydroxy-2-methylprop-2-enoate?
(1-methylcyclopentyl) 3-hydroxy-2-methylprop-2-enoate has a molecular weight of 184.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopentyl) 3-hydroxy-2-methylprop-2-enoate is sourced from PubChem (CID 174731206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).