(1-hexylcyclohexyl)methanol

C13H26O — CID 66024993

IUPAC(1-hexylcyclohexyl)methanol
SMILESCCCCCCC1(CO)CCCCC1
InChIInChI=1S/C13H26O/c1-2-3-4-6-9-13(12-14)10-7-5-8-11-13/h14H,2-12H2,1H3
InChIKeyDUQUJARWZXLOGJ-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.90
Rot. Bonds6

About (1-hexylcyclohexyl)methanol

(1-hexylcyclohexyl)methanol (PubChem CID 66024993) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (1-hexylcyclohexyl)methanol.

Molecular Properties

Compound Name(1-hexylcyclohexyl)methanol
PubChem CID66024993
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(1-hexylcyclohexyl)methanol
SMILESCCCCCCC1(CO)CCCCC1
InChIInChI=1S/C13H26O/c1-2-3-4-6-9-13(12-14)10-7-5-8-11-13/h14H,2-12H2,1H3
InChIKeyDUQUJARWZXLOGJ-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
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-butylcyclobutyl)methanol
CID 12786214
1,1-dihexadecylcyclopentane
CID 141255150
1,1-dipentylcyclononane
CID 169026027
1,1-dioctylcyclopentane
CID 54295272
1,1-di(nonyl)cyclopentane
CID 154318487
(4-octyloxan-4-yl)methanol
CID 66024090
2-(1-tetradecylcyclohexyl)acetic acid
CID 172766747
(3-octyloxan-3-yl)methanol
CID 66058603
1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670
1-(chloromethyl)-1-pentylcyclohexane
CID 66036692
N-methyl-1-(1-pentylcyclohexyl)methanamine
CID 62725569
N-[(1-hexylcyclohexyl)methyl]propan-1-amine
CID 63508687

Frequently Asked Questions

What is the IUPAC name of (1-hexylcyclohexyl)methanol?
The IUPAC name of (1-hexylcyclohexyl)methanol (CID 66024993) is (1-hexylcyclohexyl)methanol.
What is the SMILES notation for (1-hexylcyclohexyl)methanol?
The canonical SMILES for (1-hexylcyclohexyl)methanol is CCCCCCC1(CO)CCCCC1.
What is the InChIKey of (1-hexylcyclohexyl)methanol?
The InChIKey is DUQUJARWZXLOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-2-3-4-6-9-13(12-14)10-7-5-8-11-13/h14H,2-12H2,1H3.
What are the key properties of (1-hexylcyclohexyl)methanol?
(1-hexylcyclohexyl)methanol has a molecular weight of 198.35 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hexylcyclohexyl)methanol is sourced from PubChem (CID 66024993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).