1-benzylnaphthalene;ethane;2-methoxy-2-methyltridecane

C34H52O — CID 158937416

IUPAC1-benzylnaphthalene;ethane;2-methoxy-2-methyltridecane
SMILESCC.CCCCCCCCCCCC(C)(C)OC.c1ccc(Cc2cccc3ccccc23)cc1
InChIInChI=1S/C17H14.C15H32O.C2H6/c1-2-7-14(8-3-1)13-16-11-6-10-15-9-4-5-12-17(15)16;1-5-6-7-8-9-10-11-12-13-14-15(2,3)16-4;1-2/h1-12H,13H2;5-14H2,1-4H3;1-2H3
InChIKeyJJVAZPRKPRFRAF-UHFFFAOYSA-N
MW476.79 g/mol
LogP10.79
Rot. Bonds13

About 1-benzylnaphthalene;ethane;2-methoxy-2-methyltridecane

1-benzylnaphthalene;ethane;2-methoxy-2-methyltridecane (PubChem CID 158937416) has the molecular formula C34H52O and a molecular weight of 476.79 g/mol. Its IUPAC name is 1-benzylnaphthalene;ethane;2-methoxy-2-methyltridecane.

Molecular Properties

Compound Name1-benzylnaphthalene;ethane;2-methoxy-2-methyltridecane
PubChem CID158937416
Molecular FormulaC34H52O
Molecular Weight476.79 g/mol
Exact Mass476.40
IUPAC Name1-benzylnaphthalene;ethane;2-methoxy-2-methyltridecane
SMILESCC.CCCCCCCCCCCC(C)(C)OC.c1ccc(Cc2cccc3ccccc23)cc1
InChIInChI=1S/C17H14.C15H32O.C2H6/c1-2-7-14(8-3-1)13-16-11-6-10-15-9-4-5-12-17(15)16;1-5-6-7-8-9-10-11-12-13-14-15(2,3)16-4;1-2/h1-12H,13H2;5-14H2,1-4H3;1-2H3
InChIKeyJJVAZPRKPRFRAF-UHFFFAOYSA-N
XLogP10.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.79
LogP ≤ 510.79
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-benzylnaphthalene;N-methylmethanamine
CID 70612820
1-butylnaphthalene;ethane
CID 142087052
1-tetradecylnaphthalene
CID 14402128
2-methylundecan-2-yl 2-phenylacetate
CID 139889073
potassium;hydride;1-octylnaphthalene
CID 173443599
2-benzyl-1-methoxynaphthalene
CID 15617899
1-(hexoxymethyl)naphthalene
CID 18427527
azane;1-butylnaphthalene;methane
CID 174691035
anthracene;1,1,1-trimethoxyhexadecane
CID 161067972
1-[(E)-heptadec-3-enyl]naphthalene
CID 101307582
1-[(E)-docos-3-enyl]naphthalene
CID 101307762
N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
CID 118513338

Frequently Asked Questions

What is the IUPAC name of 1-benzylnaphthalene;ethane;2-methoxy-2-methyltridecane?
The IUPAC name of 1-benzylnaphthalene;ethane;2-methoxy-2-methyltridecane (CID 158937416) is 1-benzylnaphthalene;ethane;2-methoxy-2-methyltridecane.
What is the SMILES notation for 1-benzylnaphthalene;ethane;2-methoxy-2-methyltridecane?
The canonical SMILES for 1-benzylnaphthalene;ethane;2-methoxy-2-methyltridecane is CC.CCCCCCCCCCCC(C)(C)OC.c1ccc(Cc2cccc3ccccc23)cc1.
What is the InChIKey of 1-benzylnaphthalene;ethane;2-methoxy-2-methyltridecane?
The InChIKey is JJVAZPRKPRFRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14.C15H32O.C2H6/c1-2-7-14(8-3-1)13-16-11-6-10-15-9-4-5-12-17(15)16;1-5-6-7-8-9-10-11-12-13-14-15(2,3)16-4;1-2/h1-12H,13H2;5-14H2,1-4H3;1-2H3.
What are the key properties of 1-benzylnaphthalene;ethane;2-methoxy-2-methyltridecane?
1-benzylnaphthalene;ethane;2-methoxy-2-methyltridecane has a molecular weight of 476.79 g/mol, XLogP of 10.79, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylnaphthalene;ethane;2-methoxy-2-methyltridecane is sourced from PubChem (CID 158937416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).