deca-5,9-dien-2-ynylbenzene

C16H18 — CID 56622530

IUPACdeca-5,9-dien-2-ynylbenzene
SMILESC=CCCC=CCC#CCc1ccccc1
InChIInChI=1S/C16H18/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h2,5-6,9,11-12,14-15H,1,3-4,7,13H2
InChIKeyIEFPCDCWTLBCRE-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.14
Rot. Bonds5

About deca-5,9-dien-2-ynylbenzene

deca-5,9-dien-2-ynylbenzene (PubChem CID 56622530) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is deca-5,9-dien-2-ynylbenzene.

Molecular Properties

Compound Namedeca-5,9-dien-2-ynylbenzene
PubChem CID56622530
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Namedeca-5,9-dien-2-ynylbenzene
SMILESC=CCCC=CCC#CCc1ccccc1
InChIInChI=1S/C16H18/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h2,5-6,9,11-12,14-15H,1,3-4,7,13H2
InChIKeyIEFPCDCWTLBCRE-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enylbenzene
CID 159998516
but-3-enylbenzene;silver
CID 174999453
prop-2-enylbenzene;dihydrochloride
CID 174768742
phosphane;prop-2-enylbenzene
CID 87328808
CID 173215164
CID 173215164
[(2Z)-hepta-2,6-dienyl]-dimethyl-phenylsilane
CID 12992255
but-1-yne;oct-4-en-1-yne;propane;prop-2-ynylbenzene
CID 160828891
[(Z)-7-phenylhept-4-en-1-ynyl]-tri(propan-2-yl)silane
CID 135063552
3-(3-phenylprop-1-ynylsulfanyl)prop-2-ynylbenzene
CID 54414267
hept-6-enylbenzene
CID 15608161
but-1-enylbenzene;but-3-enylbenzene
CID 161099431
hexa-1,5-dienoxy(phenoxy)phosphane
CID 123997864

Frequently Asked Questions

What is the IUPAC name of deca-5,9-dien-2-ynylbenzene?
The IUPAC name of deca-5,9-dien-2-ynylbenzene (CID 56622530) is deca-5,9-dien-2-ynylbenzene.
What is the SMILES notation for deca-5,9-dien-2-ynylbenzene?
The canonical SMILES for deca-5,9-dien-2-ynylbenzene is C=CCCC=CCC#CCc1ccccc1.
What is the InChIKey of deca-5,9-dien-2-ynylbenzene?
The InChIKey is IEFPCDCWTLBCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h2,5-6,9,11-12,14-15H,1,3-4,7,13H2.
What are the key properties of deca-5,9-dien-2-ynylbenzene?
deca-5,9-dien-2-ynylbenzene has a molecular weight of 210.32 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for deca-5,9-dien-2-ynylbenzene is sourced from PubChem (CID 56622530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).