1-[1-(cyclohexylmethoxy)ethoxy]-5-(2,2,4-trimethylpentan-3-yl)naphthalene

C27H40O2 — CID 123434870

IUPAC1-[1-(cyclohexylmethoxy)ethoxy]-5-(2,2,4-trimethylpentan-3-yl)naphthalene
SMILESCC(OCC1CCCCC1)Oc1cccc2c(C(C(C)C)C(C)(C)C)cccc12
InChIInChI=1S/C27H40O2/c1-19(2)26(27(4,5)6)24-16-10-15-23-22(24)14-11-17-25(23)29-20(3)28-18-21-12-8-7-9-13-21/h10-11,14-17,19-21,26H,7-9,12-13,18H2,1-6H3
InChIKeyKMIVTPNAYXLLPV-UHFFFAOYSA-N
MW396.62 g/mol
LogP7.95
Rot. Bonds7

About 1-[1-(cyclohexylmethoxy)ethoxy]-5-(2,2,4-trimethylpentan-3-yl)naphthalene

1-[1-(cyclohexylmethoxy)ethoxy]-5-(2,2,4-trimethylpentan-3-yl)naphthalene (PubChem CID 123434870) has the molecular formula C27H40O2 and a molecular weight of 396.62 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethoxy)ethoxy]-5-(2,2,4-trimethylpentan-3-yl)naphthalene.

Molecular Properties

Compound Name1-[1-(cyclohexylmethoxy)ethoxy]-5-(2,2,4-trimethylpentan-3-yl)naphthalene
PubChem CID123434870
Molecular FormulaC27H40O2
Molecular Weight396.62 g/mol
Exact Mass396.30
IUPAC Name1-[1-(cyclohexylmethoxy)ethoxy]-5-(2,2,4-trimethylpentan-3-yl)naphthalene
SMILESCC(OCC1CCCCC1)Oc1cccc2c(C(C(C)C)C(C)(C)C)cccc12
InChIInChI=1S/C27H40O2/c1-19(2)26(27(4,5)6)24-16-10-15-23-22(24)14-11-17-25(23)29-20(3)28-18-21-12-8-7-9-13-21/h10-11,14-17,19-21,26H,7-9,12-13,18H2,1-6H3
InChIKeyKMIVTPNAYXLLPV-UHFFFAOYSA-N
XLogP7.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[1-(cyclohexylmethoxy)ethoxy]-5-(2,2,4-trimethylpentan-3-yl)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethoxy)ethoxy]-5-(2,2,4-trimethylpentan-3-yl)naphthalene?
The IUPAC name of 1-[1-(cyclohexylmethoxy)ethoxy]-5-(2,2,4-trimethylpentan-3-yl)naphthalene (CID 123434870) is 1-[1-(cyclohexylmethoxy)ethoxy]-5-(2,2,4-trimethylpentan-3-yl)naphthalene.
What is the SMILES notation for 1-[1-(cyclohexylmethoxy)ethoxy]-5-(2,2,4-trimethylpentan-3-yl)naphthalene?
The canonical SMILES for 1-[1-(cyclohexylmethoxy)ethoxy]-5-(2,2,4-trimethylpentan-3-yl)naphthalene is CC(OCC1CCCCC1)Oc1cccc2c(C(C(C)C)C(C)(C)C)cccc12.
What is the InChIKey of 1-[1-(cyclohexylmethoxy)ethoxy]-5-(2,2,4-trimethylpentan-3-yl)naphthalene?
The InChIKey is KMIVTPNAYXLLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40O2/c1-19(2)26(27(4,5)6)24-16-10-15-23-22(24)14-11-17-25(23)29-20(3)28-18-21-12-8-7-9-13-21/h10-11,14-17,19-21,26H,7-9,12-13,18H2,1-6H3.
What are the key properties of 1-[1-(cyclohexylmethoxy)ethoxy]-5-(2,2,4-trimethylpentan-3-yl)naphthalene?
1-[1-(cyclohexylmethoxy)ethoxy]-5-(2,2,4-trimethylpentan-3-yl)naphthalene has a molecular weight of 396.62 g/mol, XLogP of 7.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexylmethoxy)ethoxy]-5-(2,2,4-trimethylpentan-3-yl)naphthalene is sourced from PubChem (CID 123434870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).