2-methyl-7-(2,2,5,5-tetramethylhexan-3-yl)naphthalene

C21H30 — CID 123479998

IUPAC2-methyl-7-(2,2,5,5-tetramethylhexan-3-yl)naphthalene
SMILESCc1ccc2ccc(C(CC(C)(C)C)C(C)(C)C)cc2c1
InChIInChI=1S/C21H30/c1-15-8-9-16-10-11-17(13-18(16)12-15)19(21(5,6)7)14-20(2,3)4/h8-13,19H,14H2,1-7H3
InChIKeyFEWVVAVCEHJZPZ-UHFFFAOYSA-N
MW282.47 g/mol
LogP6.71
Rot. Bonds2

About 2-methyl-7-(2,2,5,5-tetramethylhexan-3-yl)naphthalene

2-methyl-7-(2,2,5,5-tetramethylhexan-3-yl)naphthalene (PubChem CID 123479998) has the molecular formula C21H30 and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-methyl-7-(2,2,5,5-tetramethylhexan-3-yl)naphthalene.

Molecular Properties

Compound Name2-methyl-7-(2,2,5,5-tetramethylhexan-3-yl)naphthalene
PubChem CID123479998
Molecular FormulaC21H30
Molecular Weight282.47 g/mol
Exact Mass282.23
IUPAC Name2-methyl-7-(2,2,5,5-tetramethylhexan-3-yl)naphthalene
SMILESCc1ccc2ccc(C(CC(C)(C)C)C(C)(C)C)cc2c1
InChIInChI=1S/C21H30/c1-15-8-9-16-10-11-17(13-18(16)12-15)19(21(5,6)7)14-20(2,3)4/h8-13,19H,14H2,1-7H3
InChIKeyFEWVVAVCEHJZPZ-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,5,5-trimethyl-4-naphthalen-2-ylhexan-2-amine
CID 123529640
1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 67966968
3-(2,2,5,5-tetramethylhexan-3-yl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 144724062
1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 90871361
2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol
CID 130269359
1-(bromomethyl)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123665434
1,3-ditert-butyl-5-(2,2,5,5-tetramethylhexan-3-yl)benzene;methane
CID 144560114
[3-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanol
CID 126723379
2-(7-methylnaphthalen-2-yl)propanal
CID 21414815
2-butan-2-yl-9-methylpentacene
CID 20764702
ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine
CID 143183625

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(2,2,5,5-tetramethylhexan-3-yl)naphthalene?
The IUPAC name of 2-methyl-7-(2,2,5,5-tetramethylhexan-3-yl)naphthalene (CID 123479998) is 2-methyl-7-(2,2,5,5-tetramethylhexan-3-yl)naphthalene.
What is the SMILES notation for 2-methyl-7-(2,2,5,5-tetramethylhexan-3-yl)naphthalene?
The canonical SMILES for 2-methyl-7-(2,2,5,5-tetramethylhexan-3-yl)naphthalene is Cc1ccc2ccc(C(CC(C)(C)C)C(C)(C)C)cc2c1.
What is the InChIKey of 2-methyl-7-(2,2,5,5-tetramethylhexan-3-yl)naphthalene?
The InChIKey is FEWVVAVCEHJZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30/c1-15-8-9-16-10-11-17(13-18(16)12-15)19(21(5,6)7)14-20(2,3)4/h8-13,19H,14H2,1-7H3.
What are the key properties of 2-methyl-7-(2,2,5,5-tetramethylhexan-3-yl)naphthalene?
2-methyl-7-(2,2,5,5-tetramethylhexan-3-yl)naphthalene has a molecular weight of 282.47 g/mol, XLogP of 6.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(2,2,5,5-tetramethylhexan-3-yl)naphthalene is sourced from PubChem (CID 123479998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).