2-hexoxy-6-(4-methylcyclohexen-1-yl)naphthalene

C23H30O — CID 20500667

IUPAC2-hexoxy-6-(4-methylcyclohexen-1-yl)naphthalene
SMILESCCCCCCOc1ccc2cc(C3=CCC(C)CC3)ccc2c1
InChIInChI=1S/C23H30O/c1-3-4-5-6-15-24-23-14-13-21-16-20(11-12-22(21)17-23)19-9-7-18(2)8-10-19/h9,11-14,16-18H,3-8,10,15H2,1-2H3
InChIKeyGUFGZUVGCDNMBV-UHFFFAOYSA-N
MW322.49 g/mol
LogP7.00
Rot. Bonds7

About 2-hexoxy-6-(4-methylcyclohexen-1-yl)naphthalene

2-hexoxy-6-(4-methylcyclohexen-1-yl)naphthalene (PubChem CID 20500667) has the molecular formula C23H30O and a molecular weight of 322.49 g/mol. Its IUPAC name is 2-hexoxy-6-(4-methylcyclohexen-1-yl)naphthalene.

Molecular Properties

Compound Name2-hexoxy-6-(4-methylcyclohexen-1-yl)naphthalene
PubChem CID20500667
Molecular FormulaC23H30O
Molecular Weight322.49 g/mol
Exact Mass322.23
IUPAC Name2-hexoxy-6-(4-methylcyclohexen-1-yl)naphthalene
SMILESCCCCCCOc1ccc2cc(C3=CCC(C)CC3)ccc2c1
InChIInChI=1S/C23H30O/c1-3-4-5-6-15-24-23-14-13-21-16-20(11-12-22(21)17-23)19-9-7-18(2)8-10-19/h9,11-14,16-18H,3-8,10,15H2,1-2H3
InChIKeyGUFGZUVGCDNMBV-UHFFFAOYSA-N
XLogP7.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 57.00
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

1-butoxy-4-(4-methylcyclohexen-1-yl)benzene
CID 4306080
2-(4-methylcyclohexen-1-yl)-6-pentylnaphthalene
CID 20500624
1-(4-ethylcyclohexen-1-yl)-4-heptoxybenzene
CID 57220196
2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene
CID 20500113
1-(4-heptylcyclohexen-1-yl)-4-octoxybenzene
CID 57078730
2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996
2,6-bis(6-hexoxynaphthalen-2-yl)anthracene
CID 102033937
2-methyl-6-(4-methylcyclohexen-1-yl)naphthalene
CID 20500094
1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene
CID 57220140
1-methoxy-4-(4-methylcyclohexen-1-yl)benzene
CID 3765590
[6-(4-heptylcyclohexen-1-yl)naphthalen-2-yl] acetate
CID 20500645
[6-(4-octylcyclohexen-1-yl)naphthalen-2-yl] pentanoate
CID 20500547

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-6-(4-methylcyclohexen-1-yl)naphthalene?
The IUPAC name of 2-hexoxy-6-(4-methylcyclohexen-1-yl)naphthalene (CID 20500667) is 2-hexoxy-6-(4-methylcyclohexen-1-yl)naphthalene.
What is the SMILES notation for 2-hexoxy-6-(4-methylcyclohexen-1-yl)naphthalene?
The canonical SMILES for 2-hexoxy-6-(4-methylcyclohexen-1-yl)naphthalene is CCCCCCOc1ccc2cc(C3=CCC(C)CC3)ccc2c1.
What is the InChIKey of 2-hexoxy-6-(4-methylcyclohexen-1-yl)naphthalene?
The InChIKey is GUFGZUVGCDNMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O/c1-3-4-5-6-15-24-23-14-13-21-16-20(11-12-22(21)17-23)19-9-7-18(2)8-10-19/h9,11-14,16-18H,3-8,10,15H2,1-2H3.
What are the key properties of 2-hexoxy-6-(4-methylcyclohexen-1-yl)naphthalene?
2-hexoxy-6-(4-methylcyclohexen-1-yl)naphthalene has a molecular weight of 322.49 g/mol, XLogP of 7.00, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-6-(4-methylcyclohexen-1-yl)naphthalene is sourced from PubChem (CID 20500667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).