1-[1-(2-cyclohexylethoxy)ethoxy]-5-(2,2,5-trimethylhexan-3-yl)naphthalene

C29H44O2 — CID 123622263

IUPAC1-[1-(2-cyclohexylethoxy)ethoxy]-5-(2,2,5-trimethylhexan-3-yl)naphthalene
SMILESCC(C)CC(c1cccc2c(OC(C)OCCC3CCCCC3)cccc12)C(C)(C)C
InChIInChI=1S/C29H44O2/c1-21(2)20-27(29(4,5)6)25-15-10-16-26-24(25)14-11-17-28(26)31-22(3)30-19-18-23-12-8-7-9-13-23/h10-11,14-17,21-23,27H,7-9,12-13,18-20H2,1-6H3
InChIKeyCYKMNTUDMLWGQG-UHFFFAOYSA-N
MW424.67 g/mol
LogP8.73
Rot. Bonds9

About 1-[1-(2-cyclohexylethoxy)ethoxy]-5-(2,2,5-trimethylhexan-3-yl)naphthalene

1-[1-(2-cyclohexylethoxy)ethoxy]-5-(2,2,5-trimethylhexan-3-yl)naphthalene (PubChem CID 123622263) has the molecular formula C29H44O2 and a molecular weight of 424.67 g/mol. Its IUPAC name is 1-[1-(2-cyclohexylethoxy)ethoxy]-5-(2,2,5-trimethylhexan-3-yl)naphthalene.

Molecular Properties

Compound Name1-[1-(2-cyclohexylethoxy)ethoxy]-5-(2,2,5-trimethylhexan-3-yl)naphthalene
PubChem CID123622263
Molecular FormulaC29H44O2
Molecular Weight424.67 g/mol
Exact Mass424.33
IUPAC Name1-[1-(2-cyclohexylethoxy)ethoxy]-5-(2,2,5-trimethylhexan-3-yl)naphthalene
SMILESCC(C)CC(c1cccc2c(OC(C)OCCC3CCCCC3)cccc12)C(C)(C)C
InChIInChI=1S/C29H44O2/c1-21(2)20-27(29(4,5)6)25-15-10-16-26-24(25)14-11-17-28(26)31-22(3)30-19-18-23-12-8-7-9-13-23/h10-11,14-17,21-23,27H,7-9,12-13,18-20H2,1-6H3
InChIKeyCYKMNTUDMLWGQG-UHFFFAOYSA-N
XLogP8.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 58.73
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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Related Compounds

1-[1-(cyclohexylmethoxy)ethoxy]-5-(2,2,4-trimethylpentan-3-yl)naphthalene
CID 123434870
1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-(2,2,5-trimethylhexan-3-yl)benzene
CID 123766383
1-[1-(2-cyclohexylethoxy)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene
CID 123347568
1-butan-2-yl-5-[1-[(4-methylcyclohexyl)methoxy]ethoxy]naphthalene
CID 58079062
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
1-[1-(2-cyclohexylethoxy)ethoxy]-4-(2-methylhexan-3-yl)benzene
CID 123909741
1-butan-2-yl-5-[1-(2-cyclohexylethoxy)ethoxy]naphthalene;1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;2-butan-2-yl-6-(cyclohexyloxymethoxy)naphthalene;1-butan-2-yl-4-(2,2-dimethyl-1-phenoxypropoxy)benzene;1-butan-2-yl-4-[methoxy(phenyl)methoxy]benzene;1-butan-2-yl-3-(3-methyl-2-phenoxybutyl)benzene;2-butan-2-yl-6-(phenoxymethoxy)naphthalene
CID 162109662
methanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene
CID 144559923
1-[1-(2-cyclohexylethoxy)-2-methylpropoxy]-4-(5-methylhexan-3-yl)benzene
CID 144963476
1-[1-(2-cyclohexylethoxy)ethoxy]-4-phenyliodanuidylbenzene
CID 59503192
1-cyclohexyl-4-[2-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethoxy]benzene
CID 90780259
1-[(4-butylphenoxy)-(2-cyclohexylethoxy)methyl]naphthalene
CID 123154888

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyclohexylethoxy)ethoxy]-5-(2,2,5-trimethylhexan-3-yl)naphthalene?
The IUPAC name of 1-[1-(2-cyclohexylethoxy)ethoxy]-5-(2,2,5-trimethylhexan-3-yl)naphthalene (CID 123622263) is 1-[1-(2-cyclohexylethoxy)ethoxy]-5-(2,2,5-trimethylhexan-3-yl)naphthalene.
What is the SMILES notation for 1-[1-(2-cyclohexylethoxy)ethoxy]-5-(2,2,5-trimethylhexan-3-yl)naphthalene?
The canonical SMILES for 1-[1-(2-cyclohexylethoxy)ethoxy]-5-(2,2,5-trimethylhexan-3-yl)naphthalene is CC(C)CC(c1cccc2c(OC(C)OCCC3CCCCC3)cccc12)C(C)(C)C.
What is the InChIKey of 1-[1-(2-cyclohexylethoxy)ethoxy]-5-(2,2,5-trimethylhexan-3-yl)naphthalene?
The InChIKey is CYKMNTUDMLWGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44O2/c1-21(2)20-27(29(4,5)6)25-15-10-16-26-24(25)14-11-17-28(26)31-22(3)30-19-18-23-12-8-7-9-13-23/h10-11,14-17,21-23,27H,7-9,12-13,18-20H2,1-6H3.
What are the key properties of 1-[1-(2-cyclohexylethoxy)ethoxy]-5-(2,2,5-trimethylhexan-3-yl)naphthalene?
1-[1-(2-cyclohexylethoxy)ethoxy]-5-(2,2,5-trimethylhexan-3-yl)naphthalene has a molecular weight of 424.67 g/mol, XLogP of 8.73, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclohexylethoxy)ethoxy]-5-(2,2,5-trimethylhexan-3-yl)naphthalene is sourced from PubChem (CID 123622263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).