1-(2-methylhexadecyl)naphthalene

C27H42 — CID 139758361

IUPAC1-(2-methylhexadecyl)naphthalene
SMILESCCCCCCCCCCCCCCC(C)Cc1cccc2ccccc12
InChIInChI=1S/C27H42/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-24(2)23-26-21-17-20-25-19-15-16-22-27(25)26/h15-17,19-22,24H,3-14,18,23H2,1-2H3
InChIKeyVRRNBGODGYJAOP-UHFFFAOYSA-N
MW366.63 g/mol
LogP9.11
Rot. Bonds15

About 1-(2-methylhexadecyl)naphthalene

1-(2-methylhexadecyl)naphthalene (PubChem CID 139758361) has the molecular formula C27H42 and a molecular weight of 366.63 g/mol. Its IUPAC name is 1-(2-methylhexadecyl)naphthalene.

Molecular Properties

Compound Name1-(2-methylhexadecyl)naphthalene
PubChem CID139758361
Molecular FormulaC27H42
Molecular Weight366.63 g/mol
Exact Mass366.33
IUPAC Name1-(2-methylhexadecyl)naphthalene
SMILESCCCCCCCCCCCCCCC(C)Cc1cccc2ccccc12
InChIInChI=1S/C27H42/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-24(2)23-26-21-17-20-25-19-15-16-22-27(25)26/h15-17,19-22,24H,3-14,18,23H2,1-2H3
InChIKeyVRRNBGODGYJAOP-UHFFFAOYSA-N
XLogP9.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-ylnonan-2-ol
CID 19902465
1-(2-bromodecyl)naphthalene
CID 65428546
2-(2-methyltetradecyl)phenol
CID 154276736
(2R)-N-(naphthalen-1-ylmethyl)octan-2-amine
CID 7322198
2-(2,4-dimethyldodecyl)benzenethiol
CID 175261112
1-tetradecylnaphthalene
CID 14402128
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
2-(2-methylhexyl)phenol
CID 70468814
potassium;hydride;1-octylnaphthalene
CID 173443599
1-[2-(1-phenylpropan-2-yl)hexyl]naphthalene
CID 91421580

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylhexadecyl)naphthalene?
The IUPAC name of 1-(2-methylhexadecyl)naphthalene (CID 139758361) is 1-(2-methylhexadecyl)naphthalene.
What is the SMILES notation for 1-(2-methylhexadecyl)naphthalene?
The canonical SMILES for 1-(2-methylhexadecyl)naphthalene is CCCCCCCCCCCCCCC(C)Cc1cccc2ccccc12.
What is the InChIKey of 1-(2-methylhexadecyl)naphthalene?
The InChIKey is VRRNBGODGYJAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-24(2)23-26-21-17-20-25-19-15-16-22-27(25)26/h15-17,19-22,24H,3-14,18,23H2,1-2H3.
What are the key properties of 1-(2-methylhexadecyl)naphthalene?
1-(2-methylhexadecyl)naphthalene has a molecular weight of 366.63 g/mol, XLogP of 9.11, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylhexadecyl)naphthalene is sourced from PubChem (CID 139758361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).