cis-(1S,2S)-2-chloro-1-ethynylcyclopentan-1-ol

C7H9ClO — CID 131165760

IUPACcis-(1S,2S)-2-chloro-1-ethynylcyclopentan-1-ol
SMILESC#C[C@@]1(O)CCC[C@@H]1Cl
InChIInChI=1S/C7H9ClO/c1-2-7(9)5-3-4-6(7)8/h1,6,9H,3-5H2/t6-,7+/m0/s1
InChIKeyCFZCYSWODMKACP-NKWVEPMBSA-N
MW144.60 g/mol
LogP1.14
Rot. Bonds

About cis-(1S,2S)-2-chloro-1-ethynylcyclopentan-1-ol

cis-(1S,2S)-2-chloro-1-ethynylcyclopentan-1-ol (PubChem CID 131165760) has the molecular formula C7H9ClO and a molecular weight of 144.60 g/mol. Its IUPAC name is cis-(1S,2S)-2-chloro-1-ethynylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-chloro-1-ethynylcyclopentan-1-ol
PubChem CID131165760
Molecular FormulaC7H9ClO
Molecular Weight144.60 g/mol
Exact Mass144.03
IUPAC Namecis-(1S,2S)-2-chloro-1-ethynylcyclopentan-1-ol
SMILESC#C[C@@]1(O)CCC[C@@H]1Cl
InChIInChI=1S/C7H9ClO/c1-2-7(9)5-3-4-6(7)8/h1,6,9H,3-5H2/t6-,7+/m0/s1
InChIKeyCFZCYSWODMKACP-NKWVEPMBSA-N
XLogP1.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cis-(1S,2S)-2-chloro-1-ethynylcyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol
CID 131071734
2-butyl-1-ethynylcyclopentan-1-ol
CID 23346684
(1S,2S,12S)-2-ethynylbicyclo[10.1.0]tridecan-2-ol
CID 10727667
cis-(1S,2S)-2-chloro-1-hex-1-ynylcyclohexan-1-ol
CID 134889581
trans-(1R,2S)-1,2-diamino-2,3-dichlorocyclohexan-1-ol
CID 57325300
cis-(1R,3R)-3-amino-1-ethynylcyclohexan-1-ol
CID 124512654
trans-(1R,3S)-3-amino-1-ethynylcyclohexan-1-ol
CID 124512652
(1S)-1-ethynyl-3-methylcyclohexan-1-ol
CID 134930490
cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol
CID 93341086
1-ethynyl-2-(2-methylprop-1-enyl)cyclobutan-1-ol
CID 13265311
1-ethynyl-2-(1-phenylethenyl)cyclohexan-1-ol
CID 102147005
trans-(1R,2R)-1-ethynyl-2-phenylcyclobutan-1-ol
CID 11958011

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-chloro-1-ethynylcyclopentan-1-ol?
The IUPAC name of cis-(1S,2S)-2-chloro-1-ethynylcyclopentan-1-ol (CID 131165760) is cis-(1S,2S)-2-chloro-1-ethynylcyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-chloro-1-ethynylcyclopentan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-chloro-1-ethynylcyclopentan-1-ol is C#C[C@@]1(O)CCC[C@@H]1Cl.
What is the InChIKey of cis-(1S,2S)-2-chloro-1-ethynylcyclopentan-1-ol?
The InChIKey is CFZCYSWODMKACP-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H9ClO/c1-2-7(9)5-3-4-6(7)8/h1,6,9H,3-5H2/t6-,7+/m0/s1.
What are the key properties of cis-(1S,2S)-2-chloro-1-ethynylcyclopentan-1-ol?
cis-(1S,2S)-2-chloro-1-ethynylcyclopentan-1-ol has a molecular weight of 144.60 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-chloro-1-ethynylcyclopentan-1-ol is sourced from PubChem (CID 131165760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).