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

C18H34O — CID 82936388

IUPAC(4-tert-butyl-1-cycloheptylcyclohexyl)methanol
SMILESCC(C)(C)C1CCC(CO)(C2CCCCCC2)CC1
InChIInChI=1S/C18H34O/c1-17(2,3)15-10-12-18(14-19,13-11-15)16-8-6-4-5-7-9-16/h15-16,19H,4-14H2,1-3H3
InChIKeyBTZHEYVGJQOQGO-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.17
Rot. Bonds2

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

(4-tert-butyl-1-cycloheptylcyclohexyl)methanol (PubChem CID 82936388) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is (4-tert-butyl-1-cycloheptylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-tert-butyl-1-cycloheptylcyclohexyl)methanol
PubChem CID82936388
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name(4-tert-butyl-1-cycloheptylcyclohexyl)methanol
SMILESCC(C)(C)C1CCC(CO)(C2CCCCCC2)CC1
InChIInChI=1S/C18H34O/c1-17(2,3)15-10-12-18(14-19,13-11-15)16-8-6-4-5-7-9-16/h15-16,19H,4-14H2,1-3H3
InChIKeyBTZHEYVGJQOQGO-UHFFFAOYSA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,3R)-1-cyclohexyl-3-methylcyclopentyl]methanol
CID 134970135
4-tert-butyl-1-cyclopentylcyclohexan-1-amine
CID 43809413
tert-butylcyclopentadecane
CID 164774831
4-tert-butyl-1-ethylcyclohexan-1-ol
CID 12709682
acetic acid;tert-butylcyclohexane
CID 69013500
4-tert-butyl-1-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid
CID 79425363
2-[(1-cyclohexylcyclohexyl)methylamino]-2-methylpropan-1-ol
CID 23388565
4-tert-butyl-1,1-dihydroperoxycyclohexane
CID 16750617
12-tert-butyldispiro[5.2.59.26]hexadecane
CID 140778143
4-tert-butyl-1-hydroxycycloheptane-1-carboxylic acid
CID 65095145
tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631
4-tert-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid
CID 79426221

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-1-cycloheptylcyclohexyl)methanol?
The IUPAC name of (4-tert-butyl-1-cycloheptylcyclohexyl)methanol (CID 82936388) is (4-tert-butyl-1-cycloheptylcyclohexyl)methanol.
What is the SMILES notation for (4-tert-butyl-1-cycloheptylcyclohexyl)methanol?
The canonical SMILES for (4-tert-butyl-1-cycloheptylcyclohexyl)methanol is CC(C)(C)C1CCC(CO)(C2CCCCCC2)CC1.
What is the InChIKey of (4-tert-butyl-1-cycloheptylcyclohexyl)methanol?
The InChIKey is BTZHEYVGJQOQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-17(2,3)15-10-12-18(14-19,13-11-15)16-8-6-4-5-7-9-16/h15-16,19H,4-14H2,1-3H3.
What are the key properties of (4-tert-butyl-1-cycloheptylcyclohexyl)methanol?
(4-tert-butyl-1-cycloheptylcyclohexyl)methanol has a molecular weight of 266.47 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-1-cycloheptylcyclohexyl)methanol is sourced from PubChem (CID 82936388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).