methyl 2-(3-hydroxy-2-pentylcyclopent-2-en-1-yl)acetate

C13H22O3 — CID 165364868

IUPACmethyl 2-(3-hydroxy-2-pentylcyclopent-2-en-1-yl)acetate
SMILESCCCCCC1=C(O)CCC1CC(=O)OC
InChIInChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10,14H,3-9H2,1-2H3
InChIKeyYMYCKXYIMYEWOW-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.35
Rot. Bonds6

About methyl 2-(3-hydroxy-2-pentylcyclopent-2-en-1-yl)acetate

methyl 2-(3-hydroxy-2-pentylcyclopent-2-en-1-yl)acetate (PubChem CID 165364868) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is methyl 2-(3-hydroxy-2-pentylcyclopent-2-en-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxy-2-pentylcyclopent-2-en-1-yl)acetate
PubChem CID165364868
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Namemethyl 2-(3-hydroxy-2-pentylcyclopent-2-en-1-yl)acetate
SMILESCCCCCC1=C(O)CCC1CC(=O)OC
InChIInChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10,14H,3-9H2,1-2H3
InChIKeyYMYCKXYIMYEWOW-UHFFFAOYSA-N
XLogP3.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-Methylethyl)-3-cyclohexene-1-carboxylic acid
CID 62117
Dihydroxychaulmoogric acid
CID 131839789
2,6,10-Trimethyl-9-undecenoic acid
CID 549556
Methyl 3-acetoxy-2-pentyl-2-cyclopentene-1-acetate
CID 11737253
4-(4-Methyl-3-pentenyl)-3-cyclohexen-1-carboxylic acid
CID 15745074
2-Cyclopentene-1-acetic acid, 3-(acetyloxy)-2-pentyl-, methyl ester
CID 165364867
2-(Cyclopenten-1-yl)pentanoic acid
CID 294872
3,7,11-Trimethyldodec-10-enoic acid
CID 488133
1-Cyclopentene-1-acetic acid, 2,3,3-trimethyl-
CID 12302351
8-[3-Ethyl-2-(3-methylbutyl)cyclohexen-1-yl]-3,7-dimethyloctanoic acid
CID 91885378
3,7-Dimethyl-8-[2-(3-methylbutyl)-3-propan-2-ylcyclohexen-1-yl]octanoic acid
CID 91885379
2-Butyl-3-pentylcycloprop-2-ene-1-carboxylic acid
CID 11009204

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxy-2-pentylcyclopent-2-en-1-yl)acetate?
The IUPAC name of methyl 2-(3-hydroxy-2-pentylcyclopent-2-en-1-yl)acetate (CID 165364868) is methyl 2-(3-hydroxy-2-pentylcyclopent-2-en-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-hydroxy-2-pentylcyclopent-2-en-1-yl)acetate?
The canonical SMILES for methyl 2-(3-hydroxy-2-pentylcyclopent-2-en-1-yl)acetate is CCCCCC1=C(O)CCC1CC(=O)OC.
What is the InChIKey of methyl 2-(3-hydroxy-2-pentylcyclopent-2-en-1-yl)acetate?
The InChIKey is YMYCKXYIMYEWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10,14H,3-9H2,1-2H3.
What are the key properties of methyl 2-(3-hydroxy-2-pentylcyclopent-2-en-1-yl)acetate?
methyl 2-(3-hydroxy-2-pentylcyclopent-2-en-1-yl)acetate has a molecular weight of 226.32 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydroxy-2-pentylcyclopent-2-en-1-yl)acetate is sourced from PubChem (CID 165364868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).