1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene

C15H22 — CID 177208667

IUPAC1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1CCCC(C)C
InChIInChI=1S/C15H22/c1-12(2)8-7-10-14-9-5-6-11-15(14)13(3)4/h5-6,9,11-12H,3,7-8,10H2,1-2,4H3
InChIKeyQOQSRIFVHQOPEG-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.70
Rot. Bonds5

About 1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene

1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene (PubChem CID 177208667) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene
PubChem CID177208667
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1CCCC(C)C
InChIInChI=1S/C15H22/c1-12(2)8-7-10-14-9-5-6-11-15(14)13(3)4/h5-6,9,11-12H,3,7-8,10H2,1-2,4H3
InChIKeyQOQSRIFVHQOPEG-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-chlorohexyl)-2-prop-1-en-2-ylbenzene
CID 20523347
1-(3-methoxybutyl)-2-prop-1-en-2-ylbenzene
CID 163584617
1-pent-4-enyl-2-prop-1-en-2-ylbenzene
CID 143278192
2-(5-methylhexyl)benzoic acid
CID 122392323
2-(6-methylheptyl)benzoic acid
CID 23133407
1-benzyl-2-prop-1-en-2-ylbenzene
CID 12535340
1-(2-prop-1-en-2-ylphenyl)propan-2-one
CID 68638096
2-methyl-3-(4-methylpentyl)phenol
CID 154091292
1-[2-(2-aminoethyl)phenyl]-4-methylpentan-1-one
CID 116577339
2,6-bis(6-methylheptyl)phenol
CID 14252215
N,N-dimethyl-1-(2-prop-1-en-2-ylphenyl)methanamine;ethane
CID 142073226
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene?
The IUPAC name of 1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene (CID 177208667) is 1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene is C=C(C)c1ccccc1CCCC(C)C.
What is the InChIKey of 1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene?
The InChIKey is QOQSRIFVHQOPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-12(2)8-7-10-14-9-5-6-11-15(14)13(3)4/h5-6,9,11-12H,3,7-8,10H2,1-2,4H3.
What are the key properties of 1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene?
1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 177208667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).