1-(2-bromoethynyl)-2,2-dimethylcyclopentan-1-ol

C9H13BrO — CID 19389261

IUPAC1-(2-bromoethynyl)-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCCC1(O)C#CBr
InChIInChI=1S/C9H13BrO/c1-8(2)4-3-5-9(8,11)6-7-10/h11H,3-5H2,1-2H3
InChIKeyWNVPEPXQSVDWOG-UHFFFAOYSA-N
MW217.11 g/mol
LogP2.28
Rot. Bonds

About 1-(2-bromoethynyl)-2,2-dimethylcyclopentan-1-ol

1-(2-bromoethynyl)-2,2-dimethylcyclopentan-1-ol (PubChem CID 19389261) has the molecular formula C9H13BrO and a molecular weight of 217.11 g/mol. Its IUPAC name is 1-(2-bromoethynyl)-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(2-bromoethynyl)-2,2-dimethylcyclopentan-1-ol
PubChem CID19389261
Molecular FormulaC9H13BrO
Molecular Weight217.11 g/mol
Exact Mass216.01
IUPAC Name1-(2-bromoethynyl)-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCCC1(O)C#CBr
InChIInChI=1S/C9H13BrO/c1-8(2)4-3-5-9(8,11)6-7-10/h11H,3-5H2,1-2H3
InChIKeyWNVPEPXQSVDWOG-UHFFFAOYSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.11
LogP ≤ 52.28
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

1-[8-(1-hydroxy-2,2,6,6-tetramethylcyclohexyl)octa-1,3,5,7-tetraynyl]-2,2,6,6-tetramethylcyclohexan-1-ol
CID 134884558
1-(1-hydroxy-2,2-dimethylcyclohexyl)cyclobutane-1-carbonitrile
CID 79852266
(5R,10R)-4,4,10-trimethylspiro[4.5]decan-10-ol
CID 102083415
2,2-dimethylcyclooctane-1,1-diol
CID 90109064
lithium;hydride;1-methylcyclobutan-1-ol
CID 173114997
2-(1-hydroxy-2,2-dimethylcyclopentyl)-2-methylpropanenitrile
CID 79862592
2,2-dimethyl-1-(4-methylpentan-2-yl)cyclopentan-1-ol
CID 130519516
methanol;spiro[3.3]heptane
CID 170155109
(1,2,2-trimethylcyclopentyl)methanol
CID 12003447
2,2-dimethyl-1-pent-3-ynylcyclopentan-1-ol
CID 104809607
1-(1-hydroxy-2,2-dimethylcyclohexyl)cycloheptane-1-carbonitrile
CID 79852706
1-iodo-1,2,2-trimethylcyclopentane
CID 70443095

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethynyl)-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 1-(2-bromoethynyl)-2,2-dimethylcyclopentan-1-ol (CID 19389261) is 1-(2-bromoethynyl)-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-(2-bromoethynyl)-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-(2-bromoethynyl)-2,2-dimethylcyclopentan-1-ol is CC1(C)CCCC1(O)C#CBr.
What is the InChIKey of 1-(2-bromoethynyl)-2,2-dimethylcyclopentan-1-ol?
The InChIKey is WNVPEPXQSVDWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrO/c1-8(2)4-3-5-9(8,11)6-7-10/h11H,3-5H2,1-2H3.
What are the key properties of 1-(2-bromoethynyl)-2,2-dimethylcyclopentan-1-ol?
1-(2-bromoethynyl)-2,2-dimethylcyclopentan-1-ol has a molecular weight of 217.11 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethynyl)-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 19389261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).