2-but-2-ynyl-1,2-dimethylcyclopentan-1-ol

C11H18O — CID 130673148

IUPAC2-but-2-ynyl-1,2-dimethylcyclopentan-1-ol
SMILESCC#CCC1(C)CCCC1(C)O
InChIInChI=1S/C11H18O/c1-4-5-7-10(2)8-6-9-11(10,3)12/h12H,6-9H2,1-3H3
InChIKeyPXBCSNMXPGZTEC-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.34
Rot. Bonds1

About 2-but-2-ynyl-1,2-dimethylcyclopentan-1-ol

2-but-2-ynyl-1,2-dimethylcyclopentan-1-ol (PubChem CID 130673148) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-but-2-ynyl-1,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name2-but-2-ynyl-1,2-dimethylcyclopentan-1-ol
PubChem CID130673148
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-but-2-ynyl-1,2-dimethylcyclopentan-1-ol
SMILESCC#CCC1(C)CCCC1(C)O
InChIInChI=1S/C11H18O/c1-4-5-7-10(2)8-6-9-11(10,3)12/h12H,6-9H2,1-3H3
InChIKeyPXBCSNMXPGZTEC-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

2-(aminomethyl)-1,2-dimethylcyclopentan-1-ol
CID 130681780
1,2-dimethyl-2-propylcyclopentan-1-ol
CID 131101146
2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol
CID 12590009
2-(2-hydroxy-1,2-dimethylcyclopentyl)acetic acid
CID 130647860
2,2-dimethyl-1-pent-3-ynylcyclopentan-1-ol
CID 104809607
(2R)-2-but-2-ynyl-1,3,3-trimethylbicyclo[2.2.2]octa-5,7-dien-2-ol
CID 10867697
2-methylcyclopentane-1,1,2-triol
CID 139968116
8-pent-3-ynylspiro[3.4]octan-8-ol
CID 127011833
ethyl 1-but-2-ynylcyclobutane-1-carboxylate
CID 20565057
3-but-2-ynyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171952558
cis-(1S,2S)-1-but-2-ynyl-2-hydroxycyclopentane-1-carboxylic acid
CID 10535426
N-(cycloheptylmethyl)but-2-yn-1-amine
CID 115866189

Frequently Asked Questions

What is the IUPAC name of 2-but-2-ynyl-1,2-dimethylcyclopentan-1-ol?
The IUPAC name of 2-but-2-ynyl-1,2-dimethylcyclopentan-1-ol (CID 130673148) is 2-but-2-ynyl-1,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 2-but-2-ynyl-1,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 2-but-2-ynyl-1,2-dimethylcyclopentan-1-ol is CC#CCC1(C)CCCC1(C)O.
What is the InChIKey of 2-but-2-ynyl-1,2-dimethylcyclopentan-1-ol?
The InChIKey is PXBCSNMXPGZTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-4-5-7-10(2)8-6-9-11(10,3)12/h12H,6-9H2,1-3H3.
What are the key properties of 2-but-2-ynyl-1,2-dimethylcyclopentan-1-ol?
2-but-2-ynyl-1,2-dimethylcyclopentan-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-ynyl-1,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 130673148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).