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

C10H20O — CID 66770343

IUPACtrans-(1R,2S)-2-pentylcyclopentan-1-ol
SMILESCCCCC[C@H]1CCC[C@H]1O
InChIInChI=1S/C10H20O/c1-2-3-4-6-9-7-5-8-10(9)11/h9-11H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyMWYGSCHWFNRSET-VHSXEESVSA-N
MW156.27 g/mol
LogP2.73
Rot. Bonds4

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

trans-(1R,2S)-2-pentylcyclopentan-1-ol (PubChem CID 66770343) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is trans-(1R,2S)-2-pentylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-pentylcyclopentan-1-ol
PubChem CID66770343
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Nametrans-(1R,2S)-2-pentylcyclopentan-1-ol
SMILESCCCCC[C@H]1CCC[C@H]1O
InChIInChI=1S/C10H20O/c1-2-3-4-6-9-7-5-8-10(9)11/h9-11H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyMWYGSCHWFNRSET-VHSXEESVSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.73
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

3,7-Dimethyl-1-octanol
CID 7792
2-Butyl-1-octanol
CID 19800
1-Cyclohexylethanol
CID 137829
2,6,8-Trimethyl-4-nonanol
CID 61056
2-Propyl-1-heptanol
CID 24847
3-Octanol, 6-ethyl-
CID 140601
5-Ethyl-2-nonanol
CID 7634
7-Ethyl-2-methyl-4-undecanol
CID 97948
2-Methyloctan-3-ol
CID 98464
3,9-Diethyl-6-tridecanol
CID 225882
1-Cyclohexyl-1-propanol
CID 86535
(1,1'-Bicyclopentyl)-2-ol
CID 107348

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-pentylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-2-pentylcyclopentan-1-ol (CID 66770343) is trans-(1R,2S)-2-pentylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-pentylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-pentylcyclopentan-1-ol is CCCCC[C@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2S)-2-pentylcyclopentan-1-ol?
The InChIKey is MWYGSCHWFNRSET-VHSXEESVSA-N. The full InChI is InChI=1S/C10H20O/c1-2-3-4-6-9-7-5-8-10(9)11/h9-11H,2-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of trans-(1R,2S)-2-pentylcyclopentan-1-ol?
trans-(1R,2S)-2-pentylcyclopentan-1-ol has a molecular weight of 156.27 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-pentylcyclopentan-1-ol is sourced from PubChem (CID 66770343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).