trans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane

C8H15Cl — CID 172588830

IUPACtrans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane
SMILESCC(C)[C@@H]1CCC[C@H]1Cl
InChIInChI=1S/C8H15Cl/c1-6(2)7-4-3-5-8(7)9/h6-8H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyMUWQSQUJXHTTIT-JGVFFNPUSA-N
MW146.66 g/mol
LogP3.05
Rot. Bonds1

About trans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane

trans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane (PubChem CID 172588830) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is trans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane.

Molecular Properties

Compound Nametrans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane
PubChem CID172588830
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Nametrans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane
SMILESCC(C)[C@@H]1CCC[C@H]1Cl
InChIInChI=1S/C8H15Cl/c1-6(2)7-4-3-5-8(7)9/h6-8H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyMUWQSQUJXHTTIT-JGVFFNPUSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.66
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane 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

1-chloro-2-propan-2-ylcyclobutane
CID 174662999
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
cis-(1S,2S)-1-chloro-2-propan-2-ylcyclopropane
CID 59618047
cis-(1R,2R)-1-chloro-2-propan-2-ylcyclopropane
CID 59618199
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
cis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane
CID 137449477
trans-(1R,2S)-1-propan-2-yl-2-propan-2-yloxycyclopentane
CID 153444670
trans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane
CID 167274571
3-[(1S,2R)-2-chlorocyclohexyl]pentane-2,4-dione
CID 131214336
(2S)-N,2-di(propan-2-yl)cyclopentan-1-amine
CID 90381453
1,2-difluoro-3-propan-2-ylcyclohexane
CID 140573475
2-methoxy-6-propan-2-ylcyclohexan-1-ol
CID 140573404

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane?
The IUPAC name of trans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane (CID 172588830) is trans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane.
What is the SMILES notation for trans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane?
The canonical SMILES for trans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane is CC(C)[C@@H]1CCC[C@H]1Cl.
What is the InChIKey of trans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane?
The InChIKey is MUWQSQUJXHTTIT-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15Cl/c1-6(2)7-4-3-5-8(7)9/h6-8H,3-5H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of trans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane?
trans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane has a molecular weight of 146.66 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane is sourced from PubChem (CID 172588830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).