(2,6-dimethyl-4-propan-2-ylheptan-3-yl)benzene

C18H30 — CID 140816676

IUPAC(2,6-dimethyl-4-propan-2-ylheptan-3-yl)benzene
SMILESCC(C)CC(C(C)C)C(c1ccccc1)C(C)C
InChIInChI=1S/C18H30/c1-13(2)12-17(14(3)4)18(15(5)6)16-10-8-7-9-11-16/h7-11,13-15,17-18H,12H2,1-6H3
InChIKeyMTAUVRGXIFIAEO-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.74
Rot. Bonds6

About (2,6-dimethyl-4-propan-2-ylheptan-3-yl)benzene

(2,6-dimethyl-4-propan-2-ylheptan-3-yl)benzene (PubChem CID 140816676) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is (2,6-dimethyl-4-propan-2-ylheptan-3-yl)benzene.

Molecular Properties

Compound Name(2,6-dimethyl-4-propan-2-ylheptan-3-yl)benzene
PubChem CID140816676
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name(2,6-dimethyl-4-propan-2-ylheptan-3-yl)benzene
SMILESCC(C)CC(C(C)C)C(c1ccccc1)C(C)C
InChIInChI=1S/C18H30/c1-13(2)12-17(14(3)4)18(15(5)6)16-10-8-7-9-11-16/h7-11,13-15,17-18H,12H2,1-6H3
InChIKeyMTAUVRGXIFIAEO-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3-methyl-1,1-diphenylbutan-2-yl)benzene
CID 91598963
3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine
CID 102904029
2,2,5-trimethylhexan-3-ylbenzene
CID 18669937
(1R)-3-methyl-1-phenylbutan-1-amine
CID 2496575
[(1R)-3-methyl-1-phenylbutyl]azanium
CID 2496574
(3-chloro-2,6-dimethylheptan-4-yl)benzene
CID 79298558
(4-methyl-2-propan-2-ylpentyl)benzene
CID 59105661
(6-methyl-4-phenylheptan-2-yl)benzene
CID 174190180
cumene;2-methylpropane;propane
CID 158125037
(4R)-2-methyl-6-phenylheptan-4-ol
CID 135043417
(1R,2R)-4-methyl-1,2-diphenylpentan-1-ol
CID 6976778
4-methyl-2,3-diphenylpentanoic acid
CID 13280236

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4-propan-2-ylheptan-3-yl)benzene?
The IUPAC name of (2,6-dimethyl-4-propan-2-ylheptan-3-yl)benzene (CID 140816676) is (2,6-dimethyl-4-propan-2-ylheptan-3-yl)benzene.
What is the SMILES notation for (2,6-dimethyl-4-propan-2-ylheptan-3-yl)benzene?
The canonical SMILES for (2,6-dimethyl-4-propan-2-ylheptan-3-yl)benzene is CC(C)CC(C(C)C)C(c1ccccc1)C(C)C.
What is the InChIKey of (2,6-dimethyl-4-propan-2-ylheptan-3-yl)benzene?
The InChIKey is MTAUVRGXIFIAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-13(2)12-17(14(3)4)18(15(5)6)16-10-8-7-9-11-16/h7-11,13-15,17-18H,12H2,1-6H3.
What are the key properties of (2,6-dimethyl-4-propan-2-ylheptan-3-yl)benzene?
(2,6-dimethyl-4-propan-2-ylheptan-3-yl)benzene has a molecular weight of 246.44 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-propan-2-ylheptan-3-yl)benzene is sourced from PubChem (CID 140816676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).