ethane;1-(3-hydroxy-2-pentylcyclopentyl)propan-2-one

C15H30O2 — CID 91218401

IUPACethane;1-(3-hydroxy-2-pentylcyclopentyl)propan-2-one
SMILESCC.CCCCCC1C(O)CCC1CC(C)=O
InChIInChI=1S/C13H24O2.C2H6/c1-3-4-5-6-12-11(9-10(2)14)7-8-13(12)15;1-2/h11-13,15H,3-9H2,1-2H3;1-2H3
InChIKeyGZUDQPSCNIJMRP-UHFFFAOYSA-N
MW242.40 g/mol
LogP3.96
Rot. Bonds6

About ethane;1-(3-hydroxy-2-pentylcyclopentyl)propan-2-one

ethane;1-(3-hydroxy-2-pentylcyclopentyl)propan-2-one (PubChem CID 91218401) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is ethane;1-(3-hydroxy-2-pentylcyclopentyl)propan-2-one.

Molecular Properties

Compound Nameethane;1-(3-hydroxy-2-pentylcyclopentyl)propan-2-one
PubChem CID91218401
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Nameethane;1-(3-hydroxy-2-pentylcyclopentyl)propan-2-one
SMILESCC.CCCCCC1C(O)CCC1CC(C)=O
InChIInChI=1S/C13H24O2.C2H6/c1-3-4-5-6-12-11(9-10(2)14)7-8-13(12)15;1-2/h11-13,15H,3-9H2,1-2H3;1-2H3
InChIKeyGZUDQPSCNIJMRP-UHFFFAOYSA-N
XLogP3.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid
CID 129129516
Cyclopentaneacetic acid, 3-hydroxy-2-pentyl-, sodium salt (1:1)
CID 126511471
methyl 2-[(1R,2S,3S)-3-hydroxy-2-pentylcyclopentyl]acetate
CID 11872416
methyl 2-[(1R,2R,3S)-3-hydroxy-2-pentylcyclopentyl]acetate
CID 7001548
2-[(1R,2S,3R)-3-hydroxy-2-pentylcyclopentyl]acetohydrazide
CID 7296014
1-(2-ethyl-3-hydroxycyclopentyl)propan-2-one
CID 123791585
2-nonylcyclopentane-1,3-diol
CID 163304158
2-[(1R,2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid;2-[(1R,2R)-3-oxo-2-pentylcyclopentyl]acetic acid
CID 157449570
ethane;3-(2-oxopropyl)-2-pentylcyclopentan-1-one
CID 90787158
7-[(1R,2S,5S)-2-hydroxy-5-octylcyclopentyl]hepta-2,4-dienoic acid
CID 54023091
(1S,2R,3S)-2-(7-hydroxyhepta-4,6-dienyl)-3-octylcyclopentan-1-ol
CID 154376350
1-[3-heptyl-2-(2-oxononyl)cyclopentyl]nonan-2-one
CID 153430167

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-hydroxy-2-pentylcyclopentyl)propan-2-one?
The IUPAC name of ethane;1-(3-hydroxy-2-pentylcyclopentyl)propan-2-one (CID 91218401) is ethane;1-(3-hydroxy-2-pentylcyclopentyl)propan-2-one.
What is the SMILES notation for ethane;1-(3-hydroxy-2-pentylcyclopentyl)propan-2-one?
The canonical SMILES for ethane;1-(3-hydroxy-2-pentylcyclopentyl)propan-2-one is CC.CCCCCC1C(O)CCC1CC(C)=O.
What is the InChIKey of ethane;1-(3-hydroxy-2-pentylcyclopentyl)propan-2-one?
The InChIKey is GZUDQPSCNIJMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2.C2H6/c1-3-4-5-6-12-11(9-10(2)14)7-8-13(12)15;1-2/h11-13,15H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(3-hydroxy-2-pentylcyclopentyl)propan-2-one?
ethane;1-(3-hydroxy-2-pentylcyclopentyl)propan-2-one has a molecular weight of 242.40 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-hydroxy-2-pentylcyclopentyl)propan-2-one is sourced from PubChem (CID 91218401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).