trans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol

C6H11ClO — CID 131071734

IUPACtrans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol
SMILESC[C@@]1(O)CCC[C@@H]1Cl
InChIInChI=1S/C6H11ClO/c1-6(8)4-2-3-5(6)7/h5,8H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyQEMBIVBEKXXUDH-NTSWFWBYSA-N
MW134.61 g/mol
LogP1.53
Rot. Bonds

About trans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol

trans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol (PubChem CID 131071734) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is trans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol
PubChem CID131071734
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Nametrans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol
SMILESC[C@@]1(O)CCC[C@@H]1Cl
InChIInChI=1S/C6H11ClO/c1-6(8)4-2-3-5(6)7/h5,8H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyQEMBIVBEKXXUDH-NTSWFWBYSA-N
XLogP1.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol
CID 93341086
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
[(1R,2R)-2-hydroxy-2-methylcyclopentyl]azanium
CID 171460673
cis-(1R,2R)-1-methyl-2-propan-2-ylcyclopentan-1-ol
CID 158874958
(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
CID 98172819
trans-(1Z,1R,2R)-N,2-dihydroxy-2-methylcyclopentane-1-carboximidoyl chloride
CID 167088658
cis-(1S,2S)-2-chloro-1-ethynylcyclopentan-1-ol
CID 131165760
trans-(1R,2S)-1,2-diamino-2,3-dichlorocyclohexan-1-ol
CID 57325300
cis-(1S,2S)-2-bromo-1-methylcyclohexan-1-ol
CID 129404972
trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol
CID 10964528
(1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
CID 67375196
cis-(1R,2R)-2-(ethylamino)-1-methylcyclopentan-1-ol
CID 166556336

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol (CID 131071734) is trans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol is C[C@@]1(O)CCC[C@@H]1Cl.
What is the InChIKey of trans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol?
The InChIKey is QEMBIVBEKXXUDH-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H11ClO/c1-6(8)4-2-3-5(6)7/h5,8H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of trans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol?
trans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol has a molecular weight of 134.61 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol is sourced from PubChem (CID 131071734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).