(4-tert-butyl-1-octylcyclohexyl)methanol

C19H38O — CID 66026572

IUPAC(4-tert-butyl-1-octylcyclohexyl)methanol
SMILESCCCCCCCCC1(CO)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H38O/c1-5-6-7-8-9-10-13-19(16-20)14-11-17(12-15-19)18(2,3)4/h17,20H,5-16H2,1-4H3
InChIKeyFUDZNAPLABDEFU-UHFFFAOYSA-N
MW282.51 g/mol
LogP5.95
Rot. Bonds8

About (4-tert-butyl-1-octylcyclohexyl)methanol

(4-tert-butyl-1-octylcyclohexyl)methanol (PubChem CID 66026572) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is (4-tert-butyl-1-octylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-tert-butyl-1-octylcyclohexyl)methanol
PubChem CID66026572
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Name(4-tert-butyl-1-octylcyclohexyl)methanol
SMILESCCCCCCCCC1(CO)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H38O/c1-5-6-7-8-9-10-13-19(16-20)14-11-17(12-15-19)18(2,3)4/h17,20H,5-16H2,1-4H3
InChIKeyFUDZNAPLABDEFU-UHFFFAOYSA-N
XLogP5.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 55.95
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-(bromomethyl)-4-tert-butyl-1-hexylcyclohexane
CID 66048481
1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine
CID 63509791
N-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
CID 63507892
[4-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexyl]methanol
CID 103184925
[4-tert-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanol
CID 103415215
(1-hexylcyclohexyl)methanol
CID 66024993
[4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol
CID 66024369
(4-octyloxan-4-yl)methanol
CID 66024090
4,4-dihexylcyclohexane-1-carboxylic acid
CID 142634765
1-[4-tert-butyl-1-(hydroxymethyl)cyclohexyl]propan-2-ol
CID 13229863
4-tert-butyl-1-(5-hydroxypentyl)cyclohexane-1-carboxylic acid
CID 79425693
(1-butylcyclobutyl)methanol
CID 12786214

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-1-octylcyclohexyl)methanol?
The IUPAC name of (4-tert-butyl-1-octylcyclohexyl)methanol (CID 66026572) is (4-tert-butyl-1-octylcyclohexyl)methanol.
What is the SMILES notation for (4-tert-butyl-1-octylcyclohexyl)methanol?
The canonical SMILES for (4-tert-butyl-1-octylcyclohexyl)methanol is CCCCCCCCC1(CO)CCC(C(C)(C)C)CC1.
What is the InChIKey of (4-tert-butyl-1-octylcyclohexyl)methanol?
The InChIKey is FUDZNAPLABDEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O/c1-5-6-7-8-9-10-13-19(16-20)14-11-17(12-15-19)18(2,3)4/h17,20H,5-16H2,1-4H3.
What are the key properties of (4-tert-butyl-1-octylcyclohexyl)methanol?
(4-tert-butyl-1-octylcyclohexyl)methanol has a molecular weight of 282.51 g/mol, XLogP of 5.95, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-1-octylcyclohexyl)methanol is sourced from PubChem (CID 66026572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).