1-methoxy-4-(4-pentylcyclohexyl)cyclohexane

C18H34O — CID 556870

IUPAC1-methoxy-4-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(C2CCC(OC)CC2)CC1
InChIInChI=1S/C18H34O/c1-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19-2)14-12-17/h15-18H,3-14H2,1-2H3
InChIKeyRYHTXGXWVOAIRE-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.58
Rot. Bonds6

About 1-methoxy-4-(4-pentylcyclohexyl)cyclohexane

1-methoxy-4-(4-pentylcyclohexyl)cyclohexane (PubChem CID 556870) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-methoxy-4-(4-pentylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-methoxy-4-(4-pentylcyclohexyl)cyclohexane
PubChem CID556870
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name1-methoxy-4-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(C2CCC(OC)CC2)CC1
InChIInChI=1S/C18H34O/c1-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19-2)14-12-17/h15-18H,3-14H2,1-2H3
InChIKeyRYHTXGXWVOAIRE-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.58
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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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-pentylcyclohexyl)cyclohexane?
The IUPAC name of 1-methoxy-4-(4-pentylcyclohexyl)cyclohexane (CID 556870) is 1-methoxy-4-(4-pentylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-methoxy-4-(4-pentylcyclohexyl)cyclohexane?
The canonical SMILES for 1-methoxy-4-(4-pentylcyclohexyl)cyclohexane is CCCCCC1CCC(C2CCC(OC)CC2)CC1.
What is the InChIKey of 1-methoxy-4-(4-pentylcyclohexyl)cyclohexane?
The InChIKey is RYHTXGXWVOAIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19-2)14-12-17/h15-18H,3-14H2,1-2H3.
What are the key properties of 1-methoxy-4-(4-pentylcyclohexyl)cyclohexane?
1-methoxy-4-(4-pentylcyclohexyl)cyclohexane has a molecular weight of 266.47 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-pentylcyclohexyl)cyclohexane is sourced from PubChem (CID 556870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).