4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol

C24H44O2 — CID 14204907

IUPAC4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol
SMILESCC(C)(C1CCC(O)CC1)C1CCCC(C(C)(C)C2CCC(O)CC2)C1
InChIInChI=1S/C24H44O2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h17-22,25-26H,5-16H2,1-4H3
InChIKeyQCTBIMSAJXBLQH-UHFFFAOYSA-N
MW364.61 g/mol
LogP5.95
Rot. Bonds4

About 4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol

4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol (PubChem CID 14204907) has the molecular formula C24H44O2 and a molecular weight of 364.61 g/mol. Its IUPAC name is 4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol
PubChem CID14204907
Molecular FormulaC24H44O2
Molecular Weight364.61 g/mol
Exact Mass364.33
IUPAC Name4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol
SMILESCC(C)(C1CCC(O)CC1)C1CCCC(C(C)(C)C2CCC(O)CC2)C1
InChIInChI=1S/C24H44O2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h17-22,25-26H,5-16H2,1-4H3
InChIKeyQCTBIMSAJXBLQH-UHFFFAOYSA-N
XLogP5.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol with MolForge

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Related Compounds

Hydrogenated bisphenol a
CID 94932
Tetrahydroabietyl alcohol
CID 114506
Bornylcyclohexanol
CID 111394
Hydroabietyl alcohols
CID 22812306
4'-Pentyl(1,1'-bicyclohexyl)-4-ol
CID 3126233
4-(2-Cyclohexyl-2-propyl)cyclohexan-1-ol
CID 19694020
Perhydrohexestrol
CID 3081571
4-[(3R,4S)-4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexan-1-ol
CID 12561670
(6R)-1-[2-[(2S,8aS)-2,6-dihydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]ethyl]-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-2,6-diol
CID 5315954
Lyclavatol
CID 11633800
(1R,2S,4aR,6S,8aS)-1-[2-[(1R,2S,4aR,6S,8aS)-2,6-dihydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]ethyl]-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-2,6-diol
CID 12137295
(1R,2S,4aR,6R,8aS)-1-[2-[(1R,2S,4aR,6S,8aS)-2,6-dihydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]ethyl]-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-2,6-diol
CID 12137296

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol (CID 14204907) is 4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol is CC(C)(C1CCC(O)CC1)C1CCCC(C(C)(C)C2CCC(O)CC2)C1.
What is the InChIKey of 4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol?
The InChIKey is QCTBIMSAJXBLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h17-22,25-26H,5-16H2,1-4H3.
What are the key properties of 4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol?
4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol has a molecular weight of 364.61 g/mol, XLogP of 5.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 14204907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).