1-(1-butylcyclobutyl)hexan-1-ol

C14H28O — CID 143267865

IUPAC1-(1-butylcyclobutyl)hexan-1-ol
SMILESCCCCCC(O)C1(CCCC)CCC1
InChIInChI=1S/C14H28O/c1-3-5-7-9-13(15)14(10-6-4-2)11-8-12-14/h13,15H,3-12H2,1-2H3
InChIKeyWGYHEKBKAVLKRT-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.29
Rot. Bonds8

About 1-(1-butylcyclobutyl)hexan-1-ol

1-(1-butylcyclobutyl)hexan-1-ol (PubChem CID 143267865) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(1-butylcyclobutyl)hexan-1-ol.

Molecular Properties

Compound Name1-(1-butylcyclobutyl)hexan-1-ol
PubChem CID143267865
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-(1-butylcyclobutyl)hexan-1-ol
SMILESCCCCCC(O)C1(CCCC)CCC1
InChIInChI=1S/C14H28O/c1-3-5-7-9-13(15)14(10-6-4-2)11-8-12-14/h13,15H,3-12H2,1-2H3
InChIKeyWGYHEKBKAVLKRT-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.29
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

1-(1-hydroxydodecyl)cyclohexan-1-ol
CID 23056048
1-(1-hydroxytridecyl)cyclohexan-1-ol
CID 103451628
1-(1-butylcyclobutyl)prop-2-en-1-ol
CID 142645457
1-(1-methylcyclopentyl)nonan-1-ol
CID 115784043
1-(1-methylcyclopentyl)heptan-1-ol
CID 115783527
1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol
CID 54306538
(E)-1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol
CID 20565049
1-(3-butyloxetan-3-yl)butan-1-ol
CID 68634297
1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol
CID 66961510
1-(1-methoxycyclopentyl)nonan-1-ol
CID 113432696
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol
CID 79124774
1-(1-piperidin-1-ylcyclopentyl)hexan-1-ol
CID 79058984

Frequently Asked Questions

What is the IUPAC name of 1-(1-butylcyclobutyl)hexan-1-ol?
The IUPAC name of 1-(1-butylcyclobutyl)hexan-1-ol (CID 143267865) is 1-(1-butylcyclobutyl)hexan-1-ol.
What is the SMILES notation for 1-(1-butylcyclobutyl)hexan-1-ol?
The canonical SMILES for 1-(1-butylcyclobutyl)hexan-1-ol is CCCCCC(O)C1(CCCC)CCC1.
What is the InChIKey of 1-(1-butylcyclobutyl)hexan-1-ol?
The InChIKey is WGYHEKBKAVLKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-3-5-7-9-13(15)14(10-6-4-2)11-8-12-14/h13,15H,3-12H2,1-2H3.
What are the key properties of 1-(1-butylcyclobutyl)hexan-1-ol?
1-(1-butylcyclobutyl)hexan-1-ol has a molecular weight of 212.38 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylcyclobutyl)hexan-1-ol is sourced from PubChem (CID 143267865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).