1-(3-methylhexan-3-yl)-2-prop-1-en-2-ylbenzene

C16H24 — CID 143192711

IUPAC1-(3-methylhexan-3-yl)-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1C(C)(CC)CCC
InChIInChI=1S/C16H24/c1-6-12-16(5,7-2)15-11-9-8-10-14(15)13(3)4/h8-11H,3,6-7,12H2,1-2,4-5H3
InChIKeyKDOIZQXEFZYKPU-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.19
Rot. Bonds5

About 1-(3-methylhexan-3-yl)-2-prop-1-en-2-ylbenzene

1-(3-methylhexan-3-yl)-2-prop-1-en-2-ylbenzene (PubChem CID 143192711) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-(3-methylhexan-3-yl)-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-(3-methylhexan-3-yl)-2-prop-1-en-2-ylbenzene
PubChem CID143192711
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-(3-methylhexan-3-yl)-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1C(C)(CC)CCC
InChIInChI=1S/C16H24/c1-6-12-16(5,7-2)15-11-9-8-10-14(15)13(3)4/h8-11H,3,6-7,12H2,1-2,4-5H3
InChIKeyKDOIZQXEFZYKPU-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-bis(prop-1-en-2-yl)benzene;propane
CID 142274191
lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
1-(1-isocyanato-2-methylpropan-2-yl)-2-prop-1-en-2-ylbenzene
CID 57206517
2-[1-hydroxy-1-(2-prop-1-en-2-ylphenyl)ethyl]-5-methylphenol
CID 170636097
1-iodopropane;2-prop-1-en-2-ylaniline
CID 159191806
1-iodo-4-[1-(4-methylphenyl)-1-(2-prop-1-en-2-ylphenyl)ethyl]benzene
CID 169258960
2-fluoro-3-(3-methylhexan-3-yl)furan
CID 146378632
1-pent-1-en-2-yl-2-(trifluoromethyl)benzene
CID 155364675
2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol
CID 18356493
1,2-bis(prop-1-en-2-yl)benzene;1,4-xylene
CID 143494216
actinium;2-prop-1-en-2-ylphenol
CID 20669246

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylhexan-3-yl)-2-prop-1-en-2-ylbenzene?
The IUPAC name of 1-(3-methylhexan-3-yl)-2-prop-1-en-2-ylbenzene (CID 143192711) is 1-(3-methylhexan-3-yl)-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-(3-methylhexan-3-yl)-2-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-(3-methylhexan-3-yl)-2-prop-1-en-2-ylbenzene is C=C(C)c1ccccc1C(C)(CC)CCC.
What is the InChIKey of 1-(3-methylhexan-3-yl)-2-prop-1-en-2-ylbenzene?
The InChIKey is KDOIZQXEFZYKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-6-12-16(5,7-2)15-11-9-8-10-14(15)13(3)4/h8-11H,3,6-7,12H2,1-2,4-5H3.
What are the key properties of 1-(3-methylhexan-3-yl)-2-prop-1-en-2-ylbenzene?
1-(3-methylhexan-3-yl)-2-prop-1-en-2-ylbenzene has a molecular weight of 216.37 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylhexan-3-yl)-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 143192711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).