3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-1-ol

C30H56O — CID 140677444

IUPAC3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-1-ol
SMILESCCCC1CCC(CCC2CCC(C3CCC(CCCO)CC3CC)C(CC)C2)CC1
InChIInChI=1S/C30H56O/c1-4-8-23-10-12-24(13-11-23)14-15-26-17-19-30(28(6-3)22-26)29-18-16-25(9-7-20-31)21-27(29)5-2/h23-31H,4-22H2,1-3H3
InChIKeyTWLGAMXEQYMSFI-UHFFFAOYSA-N
MW432.78 g/mol
LogP9.03
Rot. Bonds11

About 3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-1-ol

3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-1-ol (PubChem CID 140677444) has the molecular formula C30H56O and a molecular weight of 432.78 g/mol. Its IUPAC name is 3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-1-ol
PubChem CID140677444
Molecular FormulaC30H56O
Molecular Weight432.78 g/mol
Exact Mass432.43
IUPAC Name3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-1-ol
SMILESCCCC1CCC(CCC2CCC(C3CCC(CCCO)CC3CC)C(CC)C2)CC1
InChIInChI=1S/C30H56O/c1-4-8-23-10-12-24(13-11-23)14-15-26-17-19-30(28(6-3)22-26)29-18-16-25(9-7-20-31)21-27(29)5-2/h23-31H,4-22H2,1-3H3
InChIKeyTWLGAMXEQYMSFI-UHFFFAOYSA-N
XLogP9.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.78
LogP ≤ 59.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-1-ol with MolForge

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Related Compounds

5-[3-ethyl-4-[2-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]pentan-1-ol
CID 140677372
3-[4-[4-[(4-butylcyclohexyl)methoxy]-2-ethylcyclohexyl]-3-ethylcyclohexyl]propan-1-ol
CID 140677434
4-[3-ethyl-4-[2-ethyl-4-[(4-propylcyclohexyl)methoxy]cyclohexyl]cyclohexyl]butan-1-ol
CID 140677431
2-[3-ethyl-4-(2-ethyl-4-methylcyclohexyl)cyclohexyl]ethanol
CID 118147189
5-[3-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol
CID 140677376
2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol
CID 79422814
4-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]butan-1-ol
CID 140677441
5-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol
CID 118147229
2-[3-ethyl-4-[3-ethyl-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol
CID 118147264
3-[3-(3-ethylcyclopentyl)cyclopentyl]propan-1-ol
CID 142767370
2-[3-ethyl-4-[3-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]ethanol
CID 118147238
1-ethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 143342565

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-1-ol?
The IUPAC name of 3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-1-ol (CID 140677444) is 3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-1-ol.
What is the SMILES notation for 3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-1-ol?
The canonical SMILES for 3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-1-ol is CCCC1CCC(CCC2CCC(C3CCC(CCCO)CC3CC)C(CC)C2)CC1.
What is the InChIKey of 3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-1-ol?
The InChIKey is TWLGAMXEQYMSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56O/c1-4-8-23-10-12-24(13-11-23)14-15-26-17-19-30(28(6-3)22-26)29-18-16-25(9-7-20-31)21-27(29)5-2/h23-31H,4-22H2,1-3H3.
What are the key properties of 3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-1-ol?
3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-1-ol has a molecular weight of 432.78 g/mol, XLogP of 9.03, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-1-ol is sourced from PubChem (CID 140677444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).