1-(1-hydroxytridecyl)cyclohexan-1-ol

C19H38O2 — CID 103451628

IUPAC1-(1-hydroxytridecyl)cyclohexan-1-ol
SMILESCCCCCCCCCCCCC(O)C1(O)CCCCC1
InChIInChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-12-15-18(20)19(21)16-13-11-14-17-19/h18,20-21H,2-17H2,1H3
InChIKeyHXMPHVCYSCGSEE-UHFFFAOYSA-N
MW298.51 g/mol
LogP5.35
Rot. Bonds12

About 1-(1-hydroxytridecyl)cyclohexan-1-ol

1-(1-hydroxytridecyl)cyclohexan-1-ol (PubChem CID 103451628) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-(1-hydroxytridecyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-hydroxytridecyl)cyclohexan-1-ol
PubChem CID103451628
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name1-(1-hydroxytridecyl)cyclohexan-1-ol
SMILESCCCCCCCCCCCCC(O)C1(O)CCCCC1
InChIInChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-12-15-18(20)19(21)16-13-11-14-17-19/h18,20-21H,2-17H2,1H3
InChIKeyHXMPHVCYSCGSEE-UHFFFAOYSA-N
XLogP5.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 55.35
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

1-(1-hydroxydodecyl)cyclohexan-1-ol
CID 23056048
1-(1-methylcyclopentyl)nonan-1-ol
CID 115784043
1-(1-methylcyclopentyl)heptan-1-ol
CID 115783527
1-(1-hydroxyoct-7-enyl)cycloheptan-1-ol
CID 107008754
1-[1-(dimethylamino)cycloheptyl]nonan-1-ol
CID 79074118
1-(1-methoxycyclopentyl)nonan-1-ol
CID 113432696
1-(1-hydroxy-3-methoxypropyl)cyclohexan-1-ol
CID 69080756
1-(1-hydroxy-4-methylpentyl)cyclohexan-1-ol
CID 103451630
1-(1-butylcyclobutyl)hexan-1-ol
CID 143267865
1-(1-piperidin-1-ylcyclopentyl)hexan-1-ol
CID 79058984
2-(1-hydroxycyclopentyl)decanal
CID 15853016
1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol
CID 66961510

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxytridecyl)cyclohexan-1-ol?
The IUPAC name of 1-(1-hydroxytridecyl)cyclohexan-1-ol (CID 103451628) is 1-(1-hydroxytridecyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-hydroxytridecyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-hydroxytridecyl)cyclohexan-1-ol is CCCCCCCCCCCCC(O)C1(O)CCCCC1.
What is the InChIKey of 1-(1-hydroxytridecyl)cyclohexan-1-ol?
The InChIKey is HXMPHVCYSCGSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-12-15-18(20)19(21)16-13-11-14-17-19/h18,20-21H,2-17H2,1H3.
What are the key properties of 1-(1-hydroxytridecyl)cyclohexan-1-ol?
1-(1-hydroxytridecyl)cyclohexan-1-ol has a molecular weight of 298.51 g/mol, XLogP of 5.35, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxytridecyl)cyclohexan-1-ol is sourced from PubChem (CID 103451628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).