1-decoxy-4-(4-ethylcyclohexyl)cyclohexane

C24H46O — CID 18605339

IUPAC1-decoxy-4-(4-ethylcyclohexyl)cyclohexane
SMILESCCCCCCCCCCOC1CCC(C2CCC(CC)CC2)CC1
InChIInChI=1S/C24H46O/c1-3-5-6-7-8-9-10-11-20-25-24-18-16-23(17-19-24)22-14-12-21(4-2)13-15-22/h21-24H,3-20H2,1-2H3
InChIKeyBYXFCFDZSIYPAP-UHFFFAOYSA-N
MW350.63 g/mol
LogP7.92
Rot. Bonds12

About 1-decoxy-4-(4-ethylcyclohexyl)cyclohexane

1-decoxy-4-(4-ethylcyclohexyl)cyclohexane (PubChem CID 18605339) has the molecular formula C24H46O and a molecular weight of 350.63 g/mol. Its IUPAC name is 1-decoxy-4-(4-ethylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-decoxy-4-(4-ethylcyclohexyl)cyclohexane
PubChem CID18605339
Molecular FormulaC24H46O
Molecular Weight350.63 g/mol
Exact Mass350.35
IUPAC Name1-decoxy-4-(4-ethylcyclohexyl)cyclohexane
SMILESCCCCCCCCCCOC1CCC(C2CCC(CC)CC2)CC1
InChIInChI=1S/C24H46O/c1-3-5-6-7-8-9-10-11-20-25-24-18-16-23(17-19-24)22-14-12-21(4-2)13-15-22/h21-24H,3-20H2,1-2H3
InChIKeyBYXFCFDZSIYPAP-UHFFFAOYSA-N
XLogP7.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.63
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(trans,trans)-4-Propoxy-4'-propyl-1,1'-bicyclohexyl
CID 545355
1-Methoxy-4-(4-propylcyclohexyl)cyclohexane
CID 556851
1,1'-Bicyclohexyl, 4-methoxy-4'-pentyl-
CID 556870
1-Ethoxy-4-(4-pentylcyclohexyl)cyclohexane
CID 559127
(trans,trans)-4-Ethoxy-4'-propyl-1,1'-bicyclohexyl
CID 559130
4-(Methoxymethyl)-4'-pentyl-1,1'-bi(cyclohexane)
CID 565313
4'-Pentyl(1,1'-bicyclohexyl)-4-ol
CID 3126233
1-[(4-Pentylcyclohexoxy)methyl]-4-(4-propylcyclohexyl)cyclohexane
CID 22886322
(trans,trans)-4-Propyl-4a(2)-[[(trans-4-propylcyclohexyl)oxy]methyl]-1,1a(2)-bicyclohexyl
CID 22886327
1-Ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)cyclohexane
CID 57298880
1-Ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 118971049
1,1'-Bicyclohexyl, 4-(methoxymethyl)-4'-propyl-
CID 565325

Frequently Asked Questions

What is the IUPAC name of 1-decoxy-4-(4-ethylcyclohexyl)cyclohexane?
The IUPAC name of 1-decoxy-4-(4-ethylcyclohexyl)cyclohexane (CID 18605339) is 1-decoxy-4-(4-ethylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-decoxy-4-(4-ethylcyclohexyl)cyclohexane?
The canonical SMILES for 1-decoxy-4-(4-ethylcyclohexyl)cyclohexane is CCCCCCCCCCOC1CCC(C2CCC(CC)CC2)CC1.
What is the InChIKey of 1-decoxy-4-(4-ethylcyclohexyl)cyclohexane?
The InChIKey is BYXFCFDZSIYPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O/c1-3-5-6-7-8-9-10-11-20-25-24-18-16-23(17-19-24)22-14-12-21(4-2)13-15-22/h21-24H,3-20H2,1-2H3.
What are the key properties of 1-decoxy-4-(4-ethylcyclohexyl)cyclohexane?
1-decoxy-4-(4-ethylcyclohexyl)cyclohexane has a molecular weight of 350.63 g/mol, XLogP of 7.92, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decoxy-4-(4-ethylcyclohexyl)cyclohexane is sourced from PubChem (CID 18605339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).