(3-ethyl-2-methylnonan-2-yl)benzene

C18H30 — CID 143461703

IUPAC(3-ethyl-2-methylnonan-2-yl)benzene
SMILESCCCCCCC(CC)C(C)(C)c1ccccc1
InChIInChI=1S/C18H30/c1-5-7-8-10-13-16(6-2)18(3,4)17-14-11-9-12-15-17/h9,11-12,14-16H,5-8,10,13H2,1-4H3
InChIKeyZYJRYUIOCCLYCG-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.96
Rot. Bonds8

About (3-ethyl-2-methylnonan-2-yl)benzene

(3-ethyl-2-methylnonan-2-yl)benzene (PubChem CID 143461703) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is (3-ethyl-2-methylnonan-2-yl)benzene.

Molecular Properties

Compound Name(3-ethyl-2-methylnonan-2-yl)benzene
PubChem CID143461703
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name(3-ethyl-2-methylnonan-2-yl)benzene
SMILESCCCCCCC(CC)C(C)(C)c1ccccc1
InChIInChI=1S/C18H30/c1-5-7-8-10-13-16(6-2)18(3,4)17-14-11-9-12-15-17/h9,11-12,14-16H,5-8,10,13H2,1-4H3
InChIKeyZYJRYUIOCCLYCG-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.96
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

2-methyl-2-phenylnonan-3-amine
CID 63420123
7-butyl-9-ethyl-8-phenylhexadecan-8-amine
CID 71195248
(2-butyl-1,1-diphenyldecyl)benzene
CID 150177254
(1,1-dimethoxy-2-octyldodecyl)benzene
CID 150569123
(1,1-dimethoxy-2-octylundecyl)benzene
CID 151680252
(1,1,1-trifluoro-3-octyl-2-phenyltridecan-2-yl)benzene
CID 151544877
4-(2-phenylpropan-2-yl)nonyl dihydrogen phosphate
CID 175185706
2,3-diethyl-2-phenyloctanoic acid
CID 175036838
tert-butylbenzene;hexane
CID 175254424
(3-methyl-2-phenyloctan-2-yl)benzene
CID 174435866
2,2-diphenyloctadecan-3-amine;hydrochloride
CID 173427037
3-benzyl-2-methylheptadecan-2-amine;hydrate;hydrochloride
CID 173297757

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-methylnonan-2-yl)benzene?
The IUPAC name of (3-ethyl-2-methylnonan-2-yl)benzene (CID 143461703) is (3-ethyl-2-methylnonan-2-yl)benzene.
What is the SMILES notation for (3-ethyl-2-methylnonan-2-yl)benzene?
The canonical SMILES for (3-ethyl-2-methylnonan-2-yl)benzene is CCCCCCC(CC)C(C)(C)c1ccccc1.
What is the InChIKey of (3-ethyl-2-methylnonan-2-yl)benzene?
The InChIKey is ZYJRYUIOCCLYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-5-7-8-10-13-16(6-2)18(3,4)17-14-11-9-12-15-17/h9,11-12,14-16H,5-8,10,13H2,1-4H3.
What are the key properties of (3-ethyl-2-methylnonan-2-yl)benzene?
(3-ethyl-2-methylnonan-2-yl)benzene has a molecular weight of 246.44 g/mol, XLogP of 5.96, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-methylnonan-2-yl)benzene is sourced from PubChem (CID 143461703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).