2-(2,5-dimethylhexan-3-yl)-6-methylnaphthalene;ethane

C21H32 — CID 143860570

IUPAC2-(2,5-dimethylhexan-3-yl)-6-methylnaphthalene;ethane
SMILESCC.Cc1ccc2cc(C(CC(C)C)C(C)C)ccc2c1
InChIInChI=1S/C19H26.C2H6/c1-13(2)10-19(14(3)4)18-9-8-16-11-15(5)6-7-17(16)12-18;1-2/h6-9,11-14,19H,10H2,1-5H3;1-2H3
InChIKeySHVUKWZFUHJSDY-UHFFFAOYSA-N
MW284.49 g/mol
LogP6.96
Rot. Bonds4

About 2-(2,5-dimethylhexan-3-yl)-6-methylnaphthalene;ethane

2-(2,5-dimethylhexan-3-yl)-6-methylnaphthalene;ethane (PubChem CID 143860570) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-(2,5-dimethylhexan-3-yl)-6-methylnaphthalene;ethane.

Molecular Properties

Compound Name2-(2,5-dimethylhexan-3-yl)-6-methylnaphthalene;ethane
PubChem CID143860570
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name2-(2,5-dimethylhexan-3-yl)-6-methylnaphthalene;ethane
SMILESCC.Cc1ccc2cc(C(CC(C)C)C(C)C)ccc2c1
InChIInChI=1S/C19H26.C2H6/c1-13(2)10-19(14(3)4)18-9-8-16-11-15(5)6-7-17(16)12-18;1-2/h6-9,11-14,19H,10H2,1-5H3;1-2H3
InChIKeySHVUKWZFUHJSDY-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(6-methylnaphthalen-2-yl)ethanethiol
CID 116866764
2-[amino-(6-methylnaphthalen-2-yl)methyl]-3-methylbutan-1-ol
CID 116945692
2-butan-2-yl-9-methylpentacene
CID 20764702
1-chloro-4-(2,5-dimethylhexan-3-yl)benzene
CID 123685686
(2S,5S)-5-(6-methylnaphthalen-2-yl)-4-oxo-2-propan-2-ylhexanoic acid
CID 148906960
2,6-dimethylnaphthalene;propane
CID 142191183
2,4-diamino-4-(6-methylnaphthalen-2-yl)butanoic acid
CID 116942743
ethane;3-methyl-6-propan-2-ylphenanthrene
CID 145088146
2,3-dibromo-3-(6-methylnaphthalen-2-yl)propanoic acid
CID 134893575
(2R)-3-methyl-2-naphthalen-2-ylbutan-1-amine
CID 121454680
9-[1-[4-(2,5-dimethylhexan-3-yl)phenoxy]ethoxy]anthracene
CID 123456326
1-(6-methylnaphthalen-2-yl)-2-methylsulfanylethanol
CID 116830253

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylhexan-3-yl)-6-methylnaphthalene;ethane?
The IUPAC name of 2-(2,5-dimethylhexan-3-yl)-6-methylnaphthalene;ethane (CID 143860570) is 2-(2,5-dimethylhexan-3-yl)-6-methylnaphthalene;ethane.
What is the SMILES notation for 2-(2,5-dimethylhexan-3-yl)-6-methylnaphthalene;ethane?
The canonical SMILES for 2-(2,5-dimethylhexan-3-yl)-6-methylnaphthalene;ethane is CC.Cc1ccc2cc(C(CC(C)C)C(C)C)ccc2c1.
What is the InChIKey of 2-(2,5-dimethylhexan-3-yl)-6-methylnaphthalene;ethane?
The InChIKey is SHVUKWZFUHJSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26.C2H6/c1-13(2)10-19(14(3)4)18-9-8-16-11-15(5)6-7-17(16)12-18;1-2/h6-9,11-14,19H,10H2,1-5H3;1-2H3.
What are the key properties of 2-(2,5-dimethylhexan-3-yl)-6-methylnaphthalene;ethane?
2-(2,5-dimethylhexan-3-yl)-6-methylnaphthalene;ethane has a molecular weight of 284.49 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylhexan-3-yl)-6-methylnaphthalene;ethane is sourced from PubChem (CID 143860570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).