4-cyclopentyloxy-3-methylbut-2-enoic acid

C10H16O3 — CID 77005467

IUPAC4-cyclopentyloxy-3-methylbut-2-enoic acid
SMILESCC(=CC(=O)O)COC1CCCC1
InChIInChI=1S/C10H16O3/c1-8(6-10(11)12)7-13-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,11,12)
InChIKeyRHROJKZTMAWRNM-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.98
Rot. Bonds4

About 4-cyclopentyloxy-3-methylbut-2-enoic acid

4-cyclopentyloxy-3-methylbut-2-enoic acid (PubChem CID 77005467) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-cyclopentyloxy-3-methylbut-2-enoic acid.

Molecular Properties

Compound Name4-cyclopentyloxy-3-methylbut-2-enoic acid
PubChem CID77005467
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name4-cyclopentyloxy-3-methylbut-2-enoic acid
SMILESCC(=CC(=O)O)COC1CCCC1
InChIInChI=1S/C10H16O3/c1-8(6-10(11)12)7-13-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,11,12)
InChIKeyRHROJKZTMAWRNM-UHFFFAOYSA-N
XLogP1.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(4,4-dimethylcyclohexyl)oxy-3-methylbut-2-enoic acid
CID 104893922
2-cycloheptyloxyacetic acid
CID 61069533
2-cyclododecyloxyacetic acid
CID 19371812
(Z)-3-cyclohexyloxybut-2-enoic acid
CID 143682110
cyclopentyl 2-cyclopentyloxyacetate
CID 118599673
4-hexoxy-3-methylbut-2-enoic acid
CID 77005513
2-cyclohexyloxy-N,N-dimethylacetamide
CID 89427272
2-[(2-cyclohexyloxyacetyl)-methylamino]acetic acid
CID 115729870
1-cyclohexyloxy-4,4-dimethylpentan-2-one
CID 174714490
(E)-4-(2-methoxyethoxy)-3-methylbut-2-enoic acid
CID 63775244
2-cyclopentyloxyacetohydrazide
CID 60782273
1-cyclobutyloxy-3-methylbutan-2-one
CID 79396416

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-3-methylbut-2-enoic acid?
The IUPAC name of 4-cyclopentyloxy-3-methylbut-2-enoic acid (CID 77005467) is 4-cyclopentyloxy-3-methylbut-2-enoic acid.
What is the SMILES notation for 4-cyclopentyloxy-3-methylbut-2-enoic acid?
The canonical SMILES for 4-cyclopentyloxy-3-methylbut-2-enoic acid is CC(=CC(=O)O)COC1CCCC1.
What is the InChIKey of 4-cyclopentyloxy-3-methylbut-2-enoic acid?
The InChIKey is RHROJKZTMAWRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(6-10(11)12)7-13-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,11,12).
What are the key properties of 4-cyclopentyloxy-3-methylbut-2-enoic acid?
4-cyclopentyloxy-3-methylbut-2-enoic acid has a molecular weight of 184.24 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-3-methylbut-2-enoic acid is sourced from PubChem (CID 77005467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).