1-(4-methylpentoxy)naphthalene

C16H20O — CID 83168126

IUPAC1-(4-methylpentoxy)naphthalene
SMILESCC(C)CCCOc1cccc2ccccc12
InChIInChI=1S/C16H20O/c1-13(2)7-6-12-17-16-11-5-9-14-8-3-4-10-15(14)16/h3-5,8-11,13H,6-7,12H2,1-2H3
InChIKeyMRPBDKMRUDJCJR-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.65
Rot. Bonds5

About 1-(4-methylpentoxy)naphthalene

1-(4-methylpentoxy)naphthalene (PubChem CID 83168126) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(4-methylpentoxy)naphthalene.

Molecular Properties

Compound Name1-(4-methylpentoxy)naphthalene
PubChem CID83168126
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name1-(4-methylpentoxy)naphthalene
SMILESCC(C)CCCOc1cccc2ccccc12
InChIInChI=1S/C16H20O/c1-13(2)7-6-12-17-16-11-5-9-14-8-3-4-10-15(14)16/h3-5,8-11,13H,6-7,12H2,1-2H3
InChIKeyMRPBDKMRUDJCJR-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.65
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-(3-chloropropoxy)naphthalene
CID 12685615
2-methyl-5-naphthalen-1-yloxypentanamide
CID 142457720
5-methyl-N-(2-naphthalen-1-yloxyethyl)hexan-2-amine
CID 63505261
1-butoxynaphthalene
CID 13262700
diethyl-(4-methylpentoxy)-naphthalen-1-yloxysilane
CID 91742929
1-chloro-2-(4-methylpentoxy)benzene
CID 59060951
1,2-dimethyl-3-(4-methylpentoxy)benzene
CID 103432295
N-methylmethanamine;1-(3-phenylpropoxy)naphthalene
CID 142048688
1-[2-(4-methylpentoxy)phenyl]ethanol
CID 112684876
1-(chloromethyl)-2-(4-methylpentoxy)benzene
CID 29004036
3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine
CID 2183626
3-naphthalen-1-yloxypropyl-[(1R)-1-phenylethyl]azanium
CID 2183627

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentoxy)naphthalene?
The IUPAC name of 1-(4-methylpentoxy)naphthalene (CID 83168126) is 1-(4-methylpentoxy)naphthalene.
What is the SMILES notation for 1-(4-methylpentoxy)naphthalene?
The canonical SMILES for 1-(4-methylpentoxy)naphthalene is CC(C)CCCOc1cccc2ccccc12.
What is the InChIKey of 1-(4-methylpentoxy)naphthalene?
The InChIKey is MRPBDKMRUDJCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-13(2)7-6-12-17-16-11-5-9-14-8-3-4-10-15(14)16/h3-5,8-11,13H,6-7,12H2,1-2H3.
What are the key properties of 1-(4-methylpentoxy)naphthalene?
1-(4-methylpentoxy)naphthalene has a molecular weight of 228.34 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentoxy)naphthalene is sourced from PubChem (CID 83168126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).