1-methyl-4-[(2R)-2-prop-1-en-2-ylhexyl]benzene

C16H24 — CID 158829863

IUPAC1-methyl-4-[(2R)-2-prop-1-en-2-ylhexyl]benzene
SMILESC=C(C)[C@H](CCCC)Cc1ccc(C)cc1
InChIInChI=1S/C16H24/c1-5-6-7-16(13(2)3)12-15-10-8-14(4)9-11-15/h8-11,16H,2,5-7,12H2,1,3-4H3/t16-/m1/s1
InChIKeyIWXGVSWGVNLXES-MRXNPFEDSA-N
MW216.37 g/mol
LogP4.92
Rot. Bonds6

About 1-methyl-4-[(2R)-2-prop-1-en-2-ylhexyl]benzene

1-methyl-4-[(2R)-2-prop-1-en-2-ylhexyl]benzene (PubChem CID 158829863) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-methyl-4-[(2R)-2-prop-1-en-2-ylhexyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(2R)-2-prop-1-en-2-ylhexyl]benzene
PubChem CID158829863
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-methyl-4-[(2R)-2-prop-1-en-2-ylhexyl]benzene
SMILESC=C(C)[C@H](CCCC)Cc1ccc(C)cc1
InChIInChI=1S/C16H24/c1-5-6-7-16(13(2)3)12-15-10-8-14(4)9-11-15/h8-11,16H,2,5-7,12H2,1,3-4H3/t16-/m1/s1
InChIKeyIWXGVSWGVNLXES-MRXNPFEDSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(chloromethyl)hexyl]-4-methylbenzene
CID 66033472
3-methyl-1-(4-methylphenyl)but-3-en-2-amine
CID 79190743
1-(4-methylphenyl)octan-2-ol
CID 62607878
1-[2-(chloromethyl)heptyl]-4-methylbenzene
CID 66033261
4-ethyl-1-(4-methylphenyl)octan-2-ol
CID 63410684
1-[2-(chloromethyl)-4-ethyloctyl]-4-methylbenzene
CID 66034803
5-butyl-4-methylidene-1-(4-methylphenyl)nonan-1-one
CID 101165457
5-hydroxy-2-[(4-methylphenyl)methyl]pentanoic acid
CID 79419105
2-[(4-methylphenyl)methyl]undecan-1-ol
CID 66059453
1-(2,3-dimethylbut-3-enyl)-4-methylbenzene;ethane;1-ethyl-4-methylbenzene;2-methylprop-1-ene
CID 177337265
1-(2-bromodecyl)-4-methylbenzene
CID 65427581
1-(2-ethyl-4-methylpent-4-enyl)-4-methylbenzene
CID 169120124

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2R)-2-prop-1-en-2-ylhexyl]benzene?
The IUPAC name of 1-methyl-4-[(2R)-2-prop-1-en-2-ylhexyl]benzene (CID 158829863) is 1-methyl-4-[(2R)-2-prop-1-en-2-ylhexyl]benzene.
What is the SMILES notation for 1-methyl-4-[(2R)-2-prop-1-en-2-ylhexyl]benzene?
The canonical SMILES for 1-methyl-4-[(2R)-2-prop-1-en-2-ylhexyl]benzene is C=C(C)[C@H](CCCC)Cc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(2R)-2-prop-1-en-2-ylhexyl]benzene?
The InChIKey is IWXGVSWGVNLXES-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24/c1-5-6-7-16(13(2)3)12-15-10-8-14(4)9-11-15/h8-11,16H,2,5-7,12H2,1,3-4H3/t16-/m1/s1.
What are the key properties of 1-methyl-4-[(2R)-2-prop-1-en-2-ylhexyl]benzene?
1-methyl-4-[(2R)-2-prop-1-en-2-ylhexyl]benzene has a molecular weight of 216.37 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2R)-2-prop-1-en-2-ylhexyl]benzene is sourced from PubChem (CID 158829863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).