trans-(1R,2S)-2-hexylcyclopentan-1-ol

C11H22O — CID 10797255

IUPACtrans-(1R,2S)-2-hexylcyclopentan-1-ol
SMILESCCCCCC[C@H]1CCC[C@H]1O
InChIInChI=1S/C11H22O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h10-12H,2-9H2,1H3/t10-,11+/m0/s1
InChIKeyCLWLVNYKXTVNCD-WDEREUQCSA-N
MW170.30 g/mol
LogP3.12
Rot. Bonds5

About trans-(1R,2S)-2-hexylcyclopentan-1-ol

trans-(1R,2S)-2-hexylcyclopentan-1-ol (PubChem CID 10797255) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is trans-(1R,2S)-2-hexylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-hexylcyclopentan-1-ol
PubChem CID10797255
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Nametrans-(1R,2S)-2-hexylcyclopentan-1-ol
SMILESCCCCCC[C@H]1CCC[C@H]1O
InChIInChI=1S/C11H22O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h10-12H,2-9H2,1H3/t10-,11+/m0/s1
InChIKeyCLWLVNYKXTVNCD-WDEREUQCSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2S)-2-hexylcyclopentan-1-ol
CID 10654739
acetic acid;2-pentylcyclopentan-1-ol
CID 71231001
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
ethyl formate;2-hexylcyclopentan-1-ol
CID 161366289
2-(2-heptoxyethyl)cyclopentan-1-ol
CID 79563672
(1S,2S,3R)-2-(hexylamino)-3-tetradecylcyclohexan-1-ol
CID 24936442
trans-(1S,2S)-1-ethyl-2-heptylcyclopentane
CID 175197427
1-pentyl-2-propylcyclopentane
CID 549948
(1R)-2-propylcyclohexan-1-ol
CID 144627240
cis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol
CID 56971486

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-hexylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-2-hexylcyclopentan-1-ol (CID 10797255) is trans-(1R,2S)-2-hexylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-hexylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-hexylcyclopentan-1-ol is CCCCCC[C@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2S)-2-hexylcyclopentan-1-ol?
The InChIKey is CLWLVNYKXTVNCD-WDEREUQCSA-N. The full InChI is InChI=1S/C11H22O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h10-12H,2-9H2,1H3/t10-,11+/m0/s1.
What are the key properties of trans-(1R,2S)-2-hexylcyclopentan-1-ol?
trans-(1R,2S)-2-hexylcyclopentan-1-ol has a molecular weight of 170.30 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-hexylcyclopentan-1-ol is sourced from PubChem (CID 10797255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).