1-butan-2-yl-5-[1-[(4-methylcyclohexyl)methoxy]ethoxy]naphthalene

C24H34O2 — CID 58079062

IUPAC1-butan-2-yl-5-[1-[(4-methylcyclohexyl)methoxy]ethoxy]naphthalene
SMILESCCC(C)c1cccc2c(OC(C)OCC3CCC(C)CC3)cccc12
InChIInChI=1S/C24H34O2/c1-5-18(3)21-8-6-10-23-22(21)9-7-11-24(23)26-19(4)25-16-20-14-12-17(2)13-15-20/h6-11,17-20H,5,12-16H2,1-4H3
InChIKeyDNYCYGFJIUQFRV-UHFFFAOYSA-N
MW354.53 g/mol
LogP6.92
Rot. Bonds7

About 1-butan-2-yl-5-[1-[(4-methylcyclohexyl)methoxy]ethoxy]naphthalene

1-butan-2-yl-5-[1-[(4-methylcyclohexyl)methoxy]ethoxy]naphthalene (PubChem CID 58079062) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 1-butan-2-yl-5-[1-[(4-methylcyclohexyl)methoxy]ethoxy]naphthalene.

Molecular Properties

Compound Name1-butan-2-yl-5-[1-[(4-methylcyclohexyl)methoxy]ethoxy]naphthalene
PubChem CID58079062
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name1-butan-2-yl-5-[1-[(4-methylcyclohexyl)methoxy]ethoxy]naphthalene
SMILESCCC(C)c1cccc2c(OC(C)OCC3CCC(C)CC3)cccc12
InChIInChI=1S/C24H34O2/c1-5-18(3)21-8-6-10-23-22(21)9-7-11-24(23)26-19(4)25-16-20-14-12-17(2)13-15-20/h6-11,17-20H,5,12-16H2,1-4H3
InChIKeyDNYCYGFJIUQFRV-UHFFFAOYSA-N
XLogP6.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-[1-[(4-methylcyclohexyl)methoxy]ethoxy]naphthalene?
The IUPAC name of 1-butan-2-yl-5-[1-[(4-methylcyclohexyl)methoxy]ethoxy]naphthalene (CID 58079062) is 1-butan-2-yl-5-[1-[(4-methylcyclohexyl)methoxy]ethoxy]naphthalene.
What is the SMILES notation for 1-butan-2-yl-5-[1-[(4-methylcyclohexyl)methoxy]ethoxy]naphthalene?
The canonical SMILES for 1-butan-2-yl-5-[1-[(4-methylcyclohexyl)methoxy]ethoxy]naphthalene is CCC(C)c1cccc2c(OC(C)OCC3CCC(C)CC3)cccc12.
What is the InChIKey of 1-butan-2-yl-5-[1-[(4-methylcyclohexyl)methoxy]ethoxy]naphthalene?
The InChIKey is DNYCYGFJIUQFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2/c1-5-18(3)21-8-6-10-23-22(21)9-7-11-24(23)26-19(4)25-16-20-14-12-17(2)13-15-20/h6-11,17-20H,5,12-16H2,1-4H3.
What are the key properties of 1-butan-2-yl-5-[1-[(4-methylcyclohexyl)methoxy]ethoxy]naphthalene?
1-butan-2-yl-5-[1-[(4-methylcyclohexyl)methoxy]ethoxy]naphthalene has a molecular weight of 354.53 g/mol, XLogP of 6.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-[1-[(4-methylcyclohexyl)methoxy]ethoxy]naphthalene is sourced from PubChem (CID 58079062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).