trans-(1S,2R)-2-[(3S)-octan-3-yl]cyclopentan-1-ol

C13H26O — CID 101119918

IUPACtrans-(1S,2R)-2-[(3S)-octan-3-yl]cyclopentan-1-ol
SMILESCCCCC[C@H](CC)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C13H26O/c1-3-5-6-8-11(4-2)12-9-7-10-13(12)14/h11-14H,3-10H2,1-2H3/t11-,12+,13-/m0/s1
InChIKeyZXFQMFWCOGYDKK-XQQFMLRXSA-N
MW198.35 g/mol
LogP3.75
Rot. Bonds6

About trans-(1S,2R)-2-[(3S)-octan-3-yl]cyclopentan-1-ol

trans-(1S,2R)-2-[(3S)-octan-3-yl]cyclopentan-1-ol (PubChem CID 101119918) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is trans-(1S,2R)-2-[(3S)-octan-3-yl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[(3S)-octan-3-yl]cyclopentan-1-ol
PubChem CID101119918
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Nametrans-(1S,2R)-2-[(3S)-octan-3-yl]cyclopentan-1-ol
SMILESCCCCC[C@H](CC)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C13H26O/c1-3-5-6-8-11(4-2)12-9-7-10-13(12)14/h11-14H,3-10H2,1-2H3/t11-,12+,13-/m0/s1
InChIKeyZXFQMFWCOGYDKK-XQQFMLRXSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.75
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

nonan-3-ylcyclopentane
CID 19893531
2-[1-(dimethylamino)undecyl]cyclohexan-1-ol
CID 70635932
1-nonan-3-yl-2-pentylcyclopropane
CID 20771222
hydron;2-[(3S)-3-hydroxyoctyl]cyclopentan-1-ol
CID 174785883
(2S,3R,4S,5R)-2-nonadecan-3-yloxane-3,4,5-triol
CID 70483177
1-(2-methylcyclopentyl)heptan-1-ol
CID 15118791
1,2-dimethyl-4-octan-3-yl-3-propan-2-ylcyclohexane
CID 90877795
hexadecan-8-ylcyclohexane
CID 91510029
1-bromodecan-2-ylcyclopentane
CID 112570528
(2S,7R)-7-hexan-3-yl-2-pentan-3-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527310
(3S)-4-decan-4-yl-1-methylpyrrolidin-3-ol
CID 170266119
trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol
CID 124618869

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[(3S)-octan-3-yl]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2R)-2-[(3S)-octan-3-yl]cyclopentan-1-ol (CID 101119918) is trans-(1S,2R)-2-[(3S)-octan-3-yl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-[(3S)-octan-3-yl]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-[(3S)-octan-3-yl]cyclopentan-1-ol is CCCCC[C@H](CC)[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2R)-2-[(3S)-octan-3-yl]cyclopentan-1-ol?
The InChIKey is ZXFQMFWCOGYDKK-XQQFMLRXSA-N. The full InChI is InChI=1S/C13H26O/c1-3-5-6-8-11(4-2)12-9-7-10-13(12)14/h11-14H,3-10H2,1-2H3/t11-,12+,13-/m0/s1.
What are the key properties of trans-(1S,2R)-2-[(3S)-octan-3-yl]cyclopentan-1-ol?
trans-(1S,2R)-2-[(3S)-octan-3-yl]cyclopentan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[(3S)-octan-3-yl]cyclopentan-1-ol is sourced from PubChem (CID 101119918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).