hydron;2-[(3S)-3-hydroxyoctyl]cyclopentan-1-ol

C13H27O2+ — CID 174785883

IUPAChydron;2-[(3S)-3-hydroxyoctyl]cyclopentan-1-ol
SMILESCCCCC[C@H](O)CCC1CCCC1O.[H+]
InChIInChI=1S/C13H26O2/c1-2-3-4-7-12(14)10-9-11-6-5-8-13(11)15/h11-15H,2-10H2,1H3/p+1/t11?,12-,13?/m0/s1
InChIKeyKOHRTSRZIRXHNK-CPCZMJQVSA-O
MW215.36 g/mol
LogP2.98
Rot. Bonds7

About hydron;2-[(3S)-3-hydroxyoctyl]cyclopentan-1-ol

hydron;2-[(3S)-3-hydroxyoctyl]cyclopentan-1-ol (PubChem CID 174785883) has the molecular formula C13H27O2+ and a molecular weight of 215.36 g/mol. Its IUPAC name is hydron;2-[(3S)-3-hydroxyoctyl]cyclopentan-1-ol.

Molecular Properties

Compound Namehydron;2-[(3S)-3-hydroxyoctyl]cyclopentan-1-ol
PubChem CID174785883
Molecular FormulaC13H27O2+
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC Namehydron;2-[(3S)-3-hydroxyoctyl]cyclopentan-1-ol
SMILESCCCCC[C@H](O)CCC1CCCC1O.[H+]
InChIInChI=1S/C13H26O2/c1-2-3-4-7-12(14)10-9-11-6-5-8-13(11)15/h11-15H,2-10H2,1H3/p+1/t11?,12-,13?/m0/s1
InChIKeyKOHRTSRZIRXHNK-CPCZMJQVSA-O
XLogP2.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2S)-2-hexylcyclopentan-1-ol
CID 10797255
cis-(1S,2S)-2-hexylcyclopentan-1-ol
CID 10654739
2-(2-hydroxyhexyl)cyclohexan-1-ol
CID 73083191
7-(3-hydroxyoctyl)-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene-1,8-diol
CID 123200545
1-cyclopentyldecan-3-ol
CID 115783211
1-cyclopropylundecan-3-ol
CID 115810831
acetic acid;2-pentylcyclopentan-1-ol
CID 71231001
2-(2-heptoxyethyl)cyclopentan-1-ol
CID 79563672
(1R)-2-propylcyclohexan-1-ol
CID 144627240
7-[(1R,2S)-2-octylcyclopentyl]heptane-1,6-diol
CID 54492785
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159

Frequently Asked Questions

What is the IUPAC name of hydron;2-[(3S)-3-hydroxyoctyl]cyclopentan-1-ol?
The IUPAC name of hydron;2-[(3S)-3-hydroxyoctyl]cyclopentan-1-ol (CID 174785883) is hydron;2-[(3S)-3-hydroxyoctyl]cyclopentan-1-ol.
What is the SMILES notation for hydron;2-[(3S)-3-hydroxyoctyl]cyclopentan-1-ol?
The canonical SMILES for hydron;2-[(3S)-3-hydroxyoctyl]cyclopentan-1-ol is CCCCC[C@H](O)CCC1CCCC1O.[H+].
What is the InChIKey of hydron;2-[(3S)-3-hydroxyoctyl]cyclopentan-1-ol?
The InChIKey is KOHRTSRZIRXHNK-CPCZMJQVSA-O. The full InChI is InChI=1S/C13H26O2/c1-2-3-4-7-12(14)10-9-11-6-5-8-13(11)15/h11-15H,2-10H2,1H3/p+1/t11?,12-,13?/m0/s1.
What are the key properties of hydron;2-[(3S)-3-hydroxyoctyl]cyclopentan-1-ol?
hydron;2-[(3S)-3-hydroxyoctyl]cyclopentan-1-ol has a molecular weight of 215.36 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-[(3S)-3-hydroxyoctyl]cyclopentan-1-ol is sourced from PubChem (CID 174785883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).