2-butyl-1-ethynylcyclopentan-1-ol

C11H18O — CID 23346684

IUPAC2-butyl-1-ethynylcyclopentan-1-ol
SMILESC#CC1(O)CCCC1CCCC
InChIInChI=1S/C11H18O/c1-3-5-7-10-8-6-9-11(10,12)4-2/h2,10,12H,3,5-9H2,1H3
InChIKeyZRAOQCAKXGIMOT-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.34
Rot. Bonds3

About 2-butyl-1-ethynylcyclopentan-1-ol

2-butyl-1-ethynylcyclopentan-1-ol (PubChem CID 23346684) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-butyl-1-ethynylcyclopentan-1-ol.

Molecular Properties

Compound Name2-butyl-1-ethynylcyclopentan-1-ol
PubChem CID23346684
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-butyl-1-ethynylcyclopentan-1-ol
SMILESC#CC1(O)CCCC1CCCC
InChIInChI=1S/C11H18O/c1-3-5-7-10-8-6-9-11(10,12)4-2/h2,10,12H,3,5-9H2,1H3
InChIKeyZRAOQCAKXGIMOT-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2S)-2-butyl-1-hydroxycyclopentane-1-carbonitrile
CID 71415303
azane;2-butyl-1,1-dimethylcyclopentane
CID 174501444
1-cyclopropyl-2-pentylcyclopentan-1-ol
CID 118117047
[2-butyl-1-(hydroxymethyl)cyclohexyl]methanol
CID 18784276
1-ethenyl-2-hexylcyclopentan-1-ol
CID 118116896
cis-(1S,2S)-2-chloro-1-ethynylcyclopentan-1-ol
CID 131165760
1,2-dibutyl-1-cyclopentylcyclopentane
CID 174805114
4-octylspiro[4.5]decane
CID 139968258
6-butylbicyclo[3.1.0]hexan-1-ol
CID 135015133
trans-(1R,2S)-1-methyl-2-pent-4-ynylcyclohexan-1-ol
CID 165444342
trans-(1R,2R)-2-butyl-1-[3-[(1S,2S)-2-(8-hydroxyoctyl)cyclopentyl]prop-2-enyl]cyclopentan-1-ol
CID 57092877
2-butyl-1-methyl-1-methylsulfanylcyclohexane
CID 139397086

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-ethynylcyclopentan-1-ol?
The IUPAC name of 2-butyl-1-ethynylcyclopentan-1-ol (CID 23346684) is 2-butyl-1-ethynylcyclopentan-1-ol.
What is the SMILES notation for 2-butyl-1-ethynylcyclopentan-1-ol?
The canonical SMILES for 2-butyl-1-ethynylcyclopentan-1-ol is C#CC1(O)CCCC1CCCC.
What is the InChIKey of 2-butyl-1-ethynylcyclopentan-1-ol?
The InChIKey is ZRAOQCAKXGIMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-3-5-7-10-8-6-9-11(10,12)4-2/h2,10,12H,3,5-9H2,1H3.
What are the key properties of 2-butyl-1-ethynylcyclopentan-1-ol?
2-butyl-1-ethynylcyclopentan-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-ethynylcyclopentan-1-ol is sourced from PubChem (CID 23346684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).