1-heptan-4-yl-4-prop-1-en-2-ylbenzene

C16H24 — CID 144559861

IUPAC1-heptan-4-yl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C(CCC)CCC)cc1
InChIInChI=1S/C16H24/c1-5-7-15(8-6-2)16-11-9-14(10-12-16)13(3)4/h9-12,15H,3,5-8H2,1-2,4H3
InChIKeyGHSDRIZUOOSONS-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.40
Rot. Bonds6

About 1-heptan-4-yl-4-prop-1-en-2-ylbenzene

1-heptan-4-yl-4-prop-1-en-2-ylbenzene (PubChem CID 144559861) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-heptan-4-yl-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-heptan-4-yl-4-prop-1-en-2-ylbenzene
PubChem CID144559861
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-heptan-4-yl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C(CCC)CCC)cc1
InChIInChI=1S/C16H24/c1-5-7-15(8-6-2)16-11-9-14(10-12-16)13(3)4/h9-12,15H,3,5-8H2,1-2,4H3
InChIKeyGHSDRIZUOOSONS-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-octan-3-yl-4-prop-1-en-2-ylbenzene
CID 144723929
1-[4-(7-methylnonan-4-yl)phenyl]ethanone
CID 143452175
4-(3,11-diphenyltetradecan-7-yl)benzoic acid
CID 134941596
4-(7-methyloctan-4-yl)benzamide
CID 143698949
1-fluoro-4-octan-4-ylbenzene
CID 70993007
4-[4-(4-hydroxyphenyl)heptyl]phenol
CID 54154884
4-(1-carboxypentan-2-yl)benzoic acid
CID 83959455
4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol
CID 163777364
1-methyl-4-undecan-6-ylbenzene
CID 54207407
1-butan-2-yl-4-octan-4-ylbenzene
CID 123736908
4-(4-chlorophenyl)heptan-1-amine
CID 83931131
1-ethyl-4-undecan-4-ylbenzene
CID 14568440

Frequently Asked Questions

What is the IUPAC name of 1-heptan-4-yl-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1-heptan-4-yl-4-prop-1-en-2-ylbenzene (CID 144559861) is 1-heptan-4-yl-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-heptan-4-yl-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-heptan-4-yl-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(C(CCC)CCC)cc1.
What is the InChIKey of 1-heptan-4-yl-4-prop-1-en-2-ylbenzene?
The InChIKey is GHSDRIZUOOSONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-5-7-15(8-6-2)16-11-9-14(10-12-16)13(3)4/h9-12,15H,3,5-8H2,1-2,4H3.
What are the key properties of 1-heptan-4-yl-4-prop-1-en-2-ylbenzene?
1-heptan-4-yl-4-prop-1-en-2-ylbenzene has a molecular weight of 216.37 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-4-yl-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 144559861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).