4-methylheptan-2-ylbenzene

C14H22 — CID 21055597

IUPAC4-methylheptan-2-ylbenzene
SMILESCCCC(C)CC(C)c1ccccc1
InChIInChI=1S/C14H22/c1-4-8-12(2)11-13(3)14-9-6-5-7-10-14/h5-7,9-10,12-13H,4,8,11H2,1-3H3
InChIKeyJFBBLOBCXRLTCK-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.62
Rot. Bonds5

About 4-methylheptan-2-ylbenzene

4-methylheptan-2-ylbenzene (PubChem CID 21055597) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 4-methylheptan-2-ylbenzene.

Molecular Properties

Compound Name4-methylheptan-2-ylbenzene
PubChem CID21055597
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name4-methylheptan-2-ylbenzene
SMILESCCCC(C)CC(C)c1ccccc1
InChIInChI=1S/C14H22/c1-4-8-12(2)11-13(3)14-9-6-5-7-10-14/h5-7,9-10,12-13H,4,8,11H2,1-3H3
InChIKeyJFBBLOBCXRLTCK-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-methyl-2-phenylnonan-4-ol
CID 65150012
pentan-2-ylbenzene
CID 17627
4-methyl-1,1-diphenylheptan-2-amine
CID 63412141
4-methyl-2-phenylheptanoic acid
CID 65430207
[6-ethyl-4-(2-ethylbutyl)octan-2-yl]benzene
CID 22960269
ethyl 4-methyl-6-phenylheptanoate
CID 158915322
2,4-dimethyl-1-phenyl-N-propylheptan-1-amine
CID 104845594
4-methyl-2-phenyl-N-propylheptan-1-amine
CID 65430595
3-phenylbutane-1,1-diol
CID 18417931
4,7-diphenyloctan-2-ylbenzene
CID 21184937
(3-methyl-1-phenyldodecyl)benzene
CID 91396098
sodium 1-phenylbutan-1-olate
CID 70503341

Frequently Asked Questions

What is the IUPAC name of 4-methylheptan-2-ylbenzene?
The IUPAC name of 4-methylheptan-2-ylbenzene (CID 21055597) is 4-methylheptan-2-ylbenzene.
What is the SMILES notation for 4-methylheptan-2-ylbenzene?
The canonical SMILES for 4-methylheptan-2-ylbenzene is CCCC(C)CC(C)c1ccccc1.
What is the InChIKey of 4-methylheptan-2-ylbenzene?
The InChIKey is JFBBLOBCXRLTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-4-8-12(2)11-13(3)14-9-6-5-7-10-14/h5-7,9-10,12-13H,4,8,11H2,1-3H3.
What are the key properties of 4-methylheptan-2-ylbenzene?
4-methylheptan-2-ylbenzene has a molecular weight of 190.33 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylheptan-2-ylbenzene is sourced from PubChem (CID 21055597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).