(4-tert-butylcyclohexyl)-(3,4-dimethylcyclohexyl)methanol

C19H36O — CID 65401125

IUPAC(4-tert-butylcyclohexyl)-(3,4-dimethylcyclohexyl)methanol
SMILESCC1CCC(C(O)C2CCC(C(C)(C)C)CC2)CC1C
InChIInChI=1S/C19H36O/c1-13-6-7-16(12-14(13)2)18(20)15-8-10-17(11-9-15)19(3,4)5/h13-18,20H,6-12H2,1-5H3
InChIKeyXKYXGADBWVRFIQ-UHFFFAOYSA-N
MW280.50 g/mol
LogP5.27
Rot. Bonds2

About (4-tert-butylcyclohexyl)-(3,4-dimethylcyclohexyl)methanol

(4-tert-butylcyclohexyl)-(3,4-dimethylcyclohexyl)methanol (PubChem CID 65401125) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(3,4-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(3,4-dimethylcyclohexyl)methanol
PubChem CID65401125
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name(4-tert-butylcyclohexyl)-(3,4-dimethylcyclohexyl)methanol
SMILESCC1CCC(C(O)C2CCC(C(C)(C)C)CC2)CC1C
InChIInChI=1S/C19H36O/c1-13-6-7-16(12-14(13)2)18(20)15-8-10-17(11-9-15)19(3,4)5/h13-18,20H,6-12H2,1-5H3
InChIKeyXKYXGADBWVRFIQ-UHFFFAOYSA-N
XLogP5.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Isobornyl cyclohexanol
CID 103005
Myrtanol
CID 521314
Hydrogenated bisphenol a
CID 94932
Bicyclo(3.1.1)heptane-2-ethanol, 6,6-dimethyl-
CID 107330
4-Hydroxy-1-(5-isocamphyl)cyclohexane
CID 106673
Cyclohexanepropanol, 2,2,6-trimethyl-alpha-propyl-
CID 116699
Bicyclo(3.1.1)heptan-3-ol, 2,6,6-trimethyl-, (1alpha,2beta,3alpha,5alpha)-
CID 99038
Tetrahydroionol
CID 107272
(-)-Pinocampheol
CID 7271803
Cyclohexanepropanol, 2,2,3,6-tetramethyl-alpha-propyl-
CID 22326187
4-((1R,2R,4R)-born-2-yl)cyclohexanol
CID 106674
alpha,beta,2,2,6-Pentamethylcyclohexanepropanol
CID 108425

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(3,4-dimethylcyclohexyl)methanol?
The IUPAC name of (4-tert-butylcyclohexyl)-(3,4-dimethylcyclohexyl)methanol (CID 65401125) is (4-tert-butylcyclohexyl)-(3,4-dimethylcyclohexyl)methanol.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(3,4-dimethylcyclohexyl)methanol?
The canonical SMILES for (4-tert-butylcyclohexyl)-(3,4-dimethylcyclohexyl)methanol is CC1CCC(C(O)C2CCC(C(C)(C)C)CC2)CC1C.
What is the InChIKey of (4-tert-butylcyclohexyl)-(3,4-dimethylcyclohexyl)methanol?
The InChIKey is XKYXGADBWVRFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-13-6-7-16(12-14(13)2)18(20)15-8-10-17(11-9-15)19(3,4)5/h13-18,20H,6-12H2,1-5H3.
What are the key properties of (4-tert-butylcyclohexyl)-(3,4-dimethylcyclohexyl)methanol?
(4-tert-butylcyclohexyl)-(3,4-dimethylcyclohexyl)methanol has a molecular weight of 280.50 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(3,4-dimethylcyclohexyl)methanol is sourced from PubChem (CID 65401125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).