2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxycyclohexyl)methyl]-4-ethylcyclohexan-1-ol

C25H48O2 — CID 90464783

IUPAC2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxycyclohexyl)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CC(CC2CC(CC)CC(C(C)(C)C)C2O)C(O)C(C(C)(C)C)C1
InChIInChI=1S/C25H48O2/c1-9-16-11-18(22(26)20(13-16)24(3,4)5)15-19-12-17(10-2)14-21(23(19)27)25(6,7)8/h16-23,26-27H,9-15H2,1-8H3
InChIKeyNSKCGBCHVCDNMD-UHFFFAOYSA-N
MW380.66 g/mol
LogP6.30
Rot. Bonds4

About 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxycyclohexyl)methyl]-4-ethylcyclohexan-1-ol

2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxycyclohexyl)methyl]-4-ethylcyclohexan-1-ol (PubChem CID 90464783) has the molecular formula C25H48O2 and a molecular weight of 380.66 g/mol. Its IUPAC name is 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxycyclohexyl)methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxycyclohexyl)methyl]-4-ethylcyclohexan-1-ol
PubChem CID90464783
Molecular FormulaC25H48O2
Molecular Weight380.66 g/mol
Exact Mass380.37
IUPAC Name2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxycyclohexyl)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CC(CC2CC(CC)CC(C(C)(C)C)C2O)C(O)C(C(C)(C)C)C1
InChIInChI=1S/C25H48O2/c1-9-16-11-18(22(26)20(13-16)24(3,4)5)15-19-12-17(10-2)14-21(23(19)27)25(6,7)8/h16-23,26-27H,9-15H2,1-8H3
InChIKeyNSKCGBCHVCDNMD-UHFFFAOYSA-N
XLogP6.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxycyclohexyl)methyl]-4-ethylcyclohexan-1-ol with MolForge

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Related Compounds

Hydrogenated bisphenol a
CID 94932
Cyclohexanol, 2,6-bis(1,1-dimethylethyl)-4-methyl-
CID 2782298
2-tert-Butyl-4-methylcyclohexanol
CID 106739
Perhydrohexestrol
CID 3081571
4-[(3R,4S)-4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexan-1-ol
CID 12561670
(1R,2R,8S,8Ar)-8-hydroxy-1-(2-hydroxyethyl)-1,2,5,5-tetramethyl-cis-decalin
CID 6420609
(1R,2R,4aS,8aS)-1-(3-hydroxypropyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 11054687
4-[(4-Hydroxy-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-ol
CID 18417158
2,2'-Methylenebis(4-methylcyclohexanol)
CID 66806100
(1S)-6-[(2R)-2-hydroxy-3,3,5,5-tetramethylcyclohexyl]-2,2,4,4-tetramethylcyclohexan-1-ol
CID 373779
(1S,6S,8aS)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,6-diol
CID 6711344
2,2'-(1-Methylethylidene)bis(cyclohexan-1-ol)
CID 19030164

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxycyclohexyl)methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxycyclohexyl)methyl]-4-ethylcyclohexan-1-ol (CID 90464783) is 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxycyclohexyl)methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxycyclohexyl)methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxycyclohexyl)methyl]-4-ethylcyclohexan-1-ol is CCC1CC(CC2CC(CC)CC(C(C)(C)C)C2O)C(O)C(C(C)(C)C)C1.
What is the InChIKey of 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxycyclohexyl)methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is NSKCGBCHVCDNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48O2/c1-9-16-11-18(22(26)20(13-16)24(3,4)5)15-19-12-17(10-2)14-21(23(19)27)25(6,7)8/h16-23,26-27H,9-15H2,1-8H3.
What are the key properties of 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxycyclohexyl)methyl]-4-ethylcyclohexan-1-ol?
2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxycyclohexyl)methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 380.66 g/mol, XLogP of 6.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxycyclohexyl)methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 90464783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).