1-(3-methylbutyl)-2-propan-2-ylbenzene

C14H22 — CID 18417614

IUPAC1-(3-methylbutyl)-2-propan-2-ylbenzene
SMILESCC(C)CCc1ccccc1C(C)C
InChIInChI=1S/C14H22/c1-11(2)9-10-13-7-5-6-8-14(13)12(3)4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyGPDWTWZSKKRNDU-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.40
Rot. Bonds4

About 1-(3-methylbutyl)-2-propan-2-ylbenzene

1-(3-methylbutyl)-2-propan-2-ylbenzene (PubChem CID 18417614) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-(3-methylbutyl)-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(3-methylbutyl)-2-propan-2-ylbenzene
PubChem CID18417614
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-(3-methylbutyl)-2-propan-2-ylbenzene
SMILESCC(C)CCc1ccccc1C(C)C
InChIInChI=1S/C14H22/c1-11(2)9-10-13-7-5-6-8-14(13)12(3)4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyGPDWTWZSKKRNDU-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1,1-dideuterio-2-methylpropyl)-2-propan-2-ylbenzene
CID 167379247
1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
CID 173166794
CID 173166794
4-(2-propan-2-ylphenyl)butan-1-ol
CID 54569508
(2-propan-2-ylphenyl)methanamine
CID 15040708
ethane;2-(3-methylbutyl)aniline
CID 143042088
1-pentadecyl-2-propan-2-ylbenzene;sulfane
CID 174904763
1-[2-(2-propan-2-ylphenyl)ethyl]piperazine
CID 96808954
5-(2-propan-2-ylphenyl)pentanenitrile
CID 141013076
1-(3-bromophenyl)-3-(2-propan-2-ylphenyl)propan-1-ol
CID 143647576
1-[(4Z,6Z)-octa-4,6-dienyl]-2-propan-2-ylbenzene
CID 142134872
4-(2-propan-2-ylphenyl)butanoic acid
CID 58591852

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-2-propan-2-ylbenzene?
The IUPAC name of 1-(3-methylbutyl)-2-propan-2-ylbenzene (CID 18417614) is 1-(3-methylbutyl)-2-propan-2-ylbenzene.
What is the SMILES notation for 1-(3-methylbutyl)-2-propan-2-ylbenzene?
The canonical SMILES for 1-(3-methylbutyl)-2-propan-2-ylbenzene is CC(C)CCc1ccccc1C(C)C.
What is the InChIKey of 1-(3-methylbutyl)-2-propan-2-ylbenzene?
The InChIKey is GPDWTWZSKKRNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-11(2)9-10-13-7-5-6-8-14(13)12(3)4/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 1-(3-methylbutyl)-2-propan-2-ylbenzene?
1-(3-methylbutyl)-2-propan-2-ylbenzene has a molecular weight of 190.33 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-2-propan-2-ylbenzene is sourced from PubChem (CID 18417614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).