6-methylhept-5-en-3-ynylbenzene

C14H16 — CID 102338437

IUPAC6-methylhept-5-en-3-ynylbenzene
SMILESCC(C)=CC#CCCc1ccccc1
InChIInChI=1S/C14H16/c1-13(2)9-5-3-6-10-14-11-7-4-8-12-14/h4,7-9,11-12H,6,10H2,1-2H3
InChIKeyHLJOZYNDZHVJTI-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.59
Rot. Bonds2

About 6-methylhept-5-en-3-ynylbenzene

6-methylhept-5-en-3-ynylbenzene (PubChem CID 102338437) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 6-methylhept-5-en-3-ynylbenzene.

Molecular Properties

Compound Name6-methylhept-5-en-3-ynylbenzene
PubChem CID102338437
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name6-methylhept-5-en-3-ynylbenzene
SMILESCC(C)=CC#CCCc1ccccc1
InChIInChI=1S/C14H16/c1-13(2)9-5-3-6-10-14-11-7-4-8-12-14/h4,7-9,11-12H,6,10H2,1-2H3
InChIKeyHLJOZYNDZHVJTI-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(5,6-dimethylidene-10-phenyldeca-3,7-diynyl)benzene
CID 154721237
7-phenylhepta-2,4-diyn-1-ol
CID 88731246
5-phenylpent-2-yn-1-amine
CID 53412251
5-chloropent-3-ynylbenzene
CID 102599188
[(Z)-3,9-diphenylnon-3-en-1,5-diynyl]-trimethylsilane
CID 10854822
ethylbenzene;2-methylbut-2-ene
CID 145143829
N-(2-phenylethylsulfanyl)acetamide
CID 141058780
dec-3-ynylbenzene
CID 13130420
ethane;[(5E,6Z)-5-ethylidene-7-methylnona-6,8-dien-3-ynyl]benzene
CID 145472806
(3S,4S)-2,4-dimethyl-8-phenyloct-5-yn-3-ol
CID 102598635
(1R)-1,5-diphenylpent-2-yn-1-ol
CID 15880987
(2-deuterio-4-methylpent-3-enyl)benzene
CID 84820233

Frequently Asked Questions

What is the IUPAC name of 6-methylhept-5-en-3-ynylbenzene?
The IUPAC name of 6-methylhept-5-en-3-ynylbenzene (CID 102338437) is 6-methylhept-5-en-3-ynylbenzene.
What is the SMILES notation for 6-methylhept-5-en-3-ynylbenzene?
The canonical SMILES for 6-methylhept-5-en-3-ynylbenzene is CC(C)=CC#CCCc1ccccc1.
What is the InChIKey of 6-methylhept-5-en-3-ynylbenzene?
The InChIKey is HLJOZYNDZHVJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-13(2)9-5-3-6-10-14-11-7-4-8-12-14/h4,7-9,11-12H,6,10H2,1-2H3.
What are the key properties of 6-methylhept-5-en-3-ynylbenzene?
6-methylhept-5-en-3-ynylbenzene has a molecular weight of 184.28 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylhept-5-en-3-ynylbenzene is sourced from PubChem (CID 102338437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).