hex-1-en-2-ylbenzene;propan-2-one

C15H22O — CID 142095367

IUPAChex-1-en-2-ylbenzene;propan-2-one
SMILESC=C(CCCC)c1ccccc1.CC(C)=O
InChIInChI=1S/C12H16.C3H6O/c1-3-4-8-11(2)12-9-6-5-7-10-12;1-3(2)4/h5-7,9-10H,2-4,8H2,1H3;1-2H3
InChIKeyCPFGXAOXHYRRTR-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.49
Rot. Bonds4

About hex-1-en-2-ylbenzene;propan-2-one

hex-1-en-2-ylbenzene;propan-2-one (PubChem CID 142095367) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is hex-1-en-2-ylbenzene;propan-2-one.

Molecular Properties

Compound Namehex-1-en-2-ylbenzene;propan-2-one
PubChem CID142095367
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Namehex-1-en-2-ylbenzene;propan-2-one
SMILESC=C(CCCC)c1ccccc1.CC(C)=O
InChIInChI=1S/C12H16.C3H6O/c1-3-4-8-11(2)12-9-6-5-7-10-12;1-3(2)4/h5-7,9-10H,2-4,8H2,1H3;1-2H3
InChIKeyCPFGXAOXHYRRTR-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

pent-1-en-2-ylbenzene
CID 521761
buta-1,3-diene;hex-1-en-2-ylbenzene;styrene
CID 173447370
N-(4-phenylpent-4-enyl)acetamide
CID 10798197
ethyl 5-phenylhex-5-enoate
CID 146276439
ethane;1-phenylpentan-1-one
CID 143728184
hexane;1-phenylethanone
CID 160797049
4-N-(4-hex-1-en-2-ylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 134365137
CID 101454794
CID 101454794
1-hex-1-en-2-yl-4-propylbenzene
CID 22166244
1-butyl-3-hex-1-en-2-ylbenzene
CID 157480093
1,1,1-trifluoro-8-phenylnon-8-en-2-one
CID 14435912
butyl 2-hydroxy-4-phenylpent-4-enoate
CID 15878269

Frequently Asked Questions

What is the IUPAC name of hex-1-en-2-ylbenzene;propan-2-one?
The IUPAC name of hex-1-en-2-ylbenzene;propan-2-one (CID 142095367) is hex-1-en-2-ylbenzene;propan-2-one.
What is the SMILES notation for hex-1-en-2-ylbenzene;propan-2-one?
The canonical SMILES for hex-1-en-2-ylbenzene;propan-2-one is C=C(CCCC)c1ccccc1.CC(C)=O.
What is the InChIKey of hex-1-en-2-ylbenzene;propan-2-one?
The InChIKey is CPFGXAOXHYRRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C3H6O/c1-3-4-8-11(2)12-9-6-5-7-10-12;1-3(2)4/h5-7,9-10H,2-4,8H2,1H3;1-2H3.
What are the key properties of hex-1-en-2-ylbenzene;propan-2-one?
hex-1-en-2-ylbenzene;propan-2-one has a molecular weight of 218.34 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-en-2-ylbenzene;propan-2-one is sourced from PubChem (CID 142095367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).