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

C15H24 — CID 168942891

IUPAC1-(3-methylpentyl)-3-propan-2-ylbenzene
SMILESCCC(C)CCc1cccc(C(C)C)c1
InChIInChI=1S/C15H24/c1-5-13(4)9-10-14-7-6-8-15(11-14)12(2)3/h6-8,11-13H,5,9-10H2,1-4H3
InChIKeyXVEOSBVFUWHBDH-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.79
Rot. Bonds5

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

1-(3-methylpentyl)-3-propan-2-ylbenzene (PubChem CID 168942891) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-(3-methylpentyl)-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(3-methylpentyl)-3-propan-2-ylbenzene
PubChem CID168942891
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1-(3-methylpentyl)-3-propan-2-ylbenzene
SMILESCCC(C)CCc1cccc(C(C)C)c1
InChIInChI=1S/C15H24/c1-5-13(4)9-10-14-7-6-8-15(11-14)12(2)3/h6-8,11-13H,5,9-10H2,1-4H3
InChIKeyXVEOSBVFUWHBDH-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-3-(3-methylpentyl)benzene
CID 57308391
3-(3-methylpentyl)benzonitrile
CID 57198276
(2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid
CID 125466189
(3-propan-2-ylphenyl)methanamine
CID 21085835
4-(3-propan-2-ylphenyl)butan-2-one
CID 129128469
3-methyl-1-(3-propylphenyl)pentan-1-amine
CID 105050445
1,3-bis[(2S)-2-methylbutyl]benzene
CID 102208674
1,5-bis(3-methylpentyl)naphthalene
CID 18760982
1-butan-2-yl-3-[3-(4-butan-2-ylphenyl)propyl]benzene
CID 123964762
1-(3-butylphenyl)butan-1-ol
CID 158563510
ethyl 3-(3-propan-2-ylphenyl)propanoate
CID 59134593
1-(methylsulfanylmethyl)-3-propan-2-ylbenzene
CID 91388847

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentyl)-3-propan-2-ylbenzene?
The IUPAC name of 1-(3-methylpentyl)-3-propan-2-ylbenzene (CID 168942891) is 1-(3-methylpentyl)-3-propan-2-ylbenzene.
What is the SMILES notation for 1-(3-methylpentyl)-3-propan-2-ylbenzene?
The canonical SMILES for 1-(3-methylpentyl)-3-propan-2-ylbenzene is CCC(C)CCc1cccc(C(C)C)c1.
What is the InChIKey of 1-(3-methylpentyl)-3-propan-2-ylbenzene?
The InChIKey is XVEOSBVFUWHBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-5-13(4)9-10-14-7-6-8-15(11-14)12(2)3/h6-8,11-13H,5,9-10H2,1-4H3.
What are the key properties of 1-(3-methylpentyl)-3-propan-2-ylbenzene?
1-(3-methylpentyl)-3-propan-2-ylbenzene has a molecular weight of 204.36 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentyl)-3-propan-2-ylbenzene is sourced from PubChem (CID 168942891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).