3-[4-[4-[(4-butylcyclohexyl)methoxy]-2-ethylcyclohexyl]-3-ethylcyclohexyl]propan-1-ol

C30H56O2 — CID 140677434

IUPAC3-[4-[4-[(4-butylcyclohexyl)methoxy]-2-ethylcyclohexyl]-3-ethylcyclohexyl]propan-1-ol
SMILESCCCCC1CCC(COC2CCC(C3CCC(CCCO)CC3CC)C(CC)C2)CC1
InChIInChI=1S/C30H56O2/c1-4-7-9-23-11-13-25(14-12-23)22-32-28-16-18-30(27(6-3)21-28)29-17-15-24(10-8-19-31)20-26(29)5-2/h23-31H,4-22H2,1-3H3
InChIKeyOSUGTCOANDFKPR-UHFFFAOYSA-N
MW448.78 g/mol
LogP8.41
Rot. Bonds12

About 3-[4-[4-[(4-butylcyclohexyl)methoxy]-2-ethylcyclohexyl]-3-ethylcyclohexyl]propan-1-ol

3-[4-[4-[(4-butylcyclohexyl)methoxy]-2-ethylcyclohexyl]-3-ethylcyclohexyl]propan-1-ol (PubChem CID 140677434) has the molecular formula C30H56O2 and a molecular weight of 448.78 g/mol. Its IUPAC name is 3-[4-[4-[(4-butylcyclohexyl)methoxy]-2-ethylcyclohexyl]-3-ethylcyclohexyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[4-[(4-butylcyclohexyl)methoxy]-2-ethylcyclohexyl]-3-ethylcyclohexyl]propan-1-ol
PubChem CID140677434
Molecular FormulaC30H56O2
Molecular Weight448.78 g/mol
Exact Mass448.43
IUPAC Name3-[4-[4-[(4-butylcyclohexyl)methoxy]-2-ethylcyclohexyl]-3-ethylcyclohexyl]propan-1-ol
SMILESCCCCC1CCC(COC2CCC(C3CCC(CCCO)CC3CC)C(CC)C2)CC1
InChIInChI=1S/C30H56O2/c1-4-7-9-23-11-13-25(14-12-23)22-32-28-16-18-30(27(6-3)21-28)29-17-15-24(10-8-19-31)20-26(29)5-2/h23-31H,4-22H2,1-3H3
InChIKeyOSUGTCOANDFKPR-UHFFFAOYSA-N
XLogP8.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.78
LogP ≤ 58.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-[4-[(4-butylcyclohexyl)methoxy]-2-ethylcyclohexyl]-3-ethylcyclohexyl]propan-1-ol with MolForge

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Related Compounds

4-[3-ethyl-4-[2-ethyl-4-[(4-propylcyclohexyl)methoxy]cyclohexyl]cyclohexyl]butan-1-ol
CID 140677431
3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-1-ol
CID 140677444
5-[3-ethyl-4-[2-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]pentan-1-ol
CID 140677372
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
1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane
CID 20516714
1-ethenyl-4-[(3-propylcyclopentyl)oxymethyl]cyclohexane
CID 58555576
5-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol
CID 118147229
2-(4-butylcyclohexyl)ethanol
CID 15085164
1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane
CID 22886261
2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol
CID 79422814
(2R,7R)-2-butyl-7-pentoxy-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 56998693

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[(4-butylcyclohexyl)methoxy]-2-ethylcyclohexyl]-3-ethylcyclohexyl]propan-1-ol?
The IUPAC name of 3-[4-[4-[(4-butylcyclohexyl)methoxy]-2-ethylcyclohexyl]-3-ethylcyclohexyl]propan-1-ol (CID 140677434) is 3-[4-[4-[(4-butylcyclohexyl)methoxy]-2-ethylcyclohexyl]-3-ethylcyclohexyl]propan-1-ol.
What is the SMILES notation for 3-[4-[4-[(4-butylcyclohexyl)methoxy]-2-ethylcyclohexyl]-3-ethylcyclohexyl]propan-1-ol?
The canonical SMILES for 3-[4-[4-[(4-butylcyclohexyl)methoxy]-2-ethylcyclohexyl]-3-ethylcyclohexyl]propan-1-ol is CCCCC1CCC(COC2CCC(C3CCC(CCCO)CC3CC)C(CC)C2)CC1.
What is the InChIKey of 3-[4-[4-[(4-butylcyclohexyl)methoxy]-2-ethylcyclohexyl]-3-ethylcyclohexyl]propan-1-ol?
The InChIKey is OSUGTCOANDFKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56O2/c1-4-7-9-23-11-13-25(14-12-23)22-32-28-16-18-30(27(6-3)21-28)29-17-15-24(10-8-19-31)20-26(29)5-2/h23-31H,4-22H2,1-3H3.
What are the key properties of 3-[4-[4-[(4-butylcyclohexyl)methoxy]-2-ethylcyclohexyl]-3-ethylcyclohexyl]propan-1-ol?
3-[4-[4-[(4-butylcyclohexyl)methoxy]-2-ethylcyclohexyl]-3-ethylcyclohexyl]propan-1-ol has a molecular weight of 448.78 g/mol, XLogP of 8.41, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[(4-butylcyclohexyl)methoxy]-2-ethylcyclohexyl]-3-ethylcyclohexyl]propan-1-ol is sourced from PubChem (CID 140677434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).