buta-1,3-dienylbenzene;tetrahydrochloride

C10H14Cl4 — CID 173415129

IUPACbuta-1,3-dienylbenzene;tetrahydrochloride
SMILESC=CC=Cc1ccccc1.Cl.Cl.Cl.Cl
InChIInChI=1S/C10H10.4ClH/c1-2-3-7-10-8-5-4-6-9-10;;;;/h2-9H,1H2;4*1H
InChIKeyRMTMUCWTPYIZSP-UHFFFAOYSA-N
MW276.03 g/mol
LogP4.57
Rot. Bonds2

About buta-1,3-dienylbenzene;tetrahydrochloride

buta-1,3-dienylbenzene;tetrahydrochloride (PubChem CID 173415129) has the molecular formula C10H14Cl4 and a molecular weight of 276.03 g/mol. Its IUPAC name is buta-1,3-dienylbenzene;tetrahydrochloride.

Molecular Properties

Compound Namebuta-1,3-dienylbenzene;tetrahydrochloride
PubChem CID173415129
Molecular FormulaC10H14Cl4
Molecular Weight276.03 g/mol
Exact Mass273.98
IUPAC Namebuta-1,3-dienylbenzene;tetrahydrochloride
SMILESC=CC=Cc1ccccc1.Cl.Cl.Cl.Cl
InChIInChI=1S/C10H10.4ClH/c1-2-3-7-10-8-5-4-6-9-10;;;;/h2-9H,1H2;4*1H
InChIKeyRMTMUCWTPYIZSP-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.03
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzene;buta-1,3-dienylbenzene;ethene
CID 174664809
[(1E,3Z)-hexa-1,3,5-trienyl]benzene
CID 12714123
acetaldehyde;buta-1,3-dienylbenzene
CID 173416032
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
carbonic acid;hexa-1,3,5-trienylbenzene
CID 118450762
buta-1,3-dienylbenzene;2-methylprop-2-enoic acid
CID 160671566
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
trimethyl-[(E)-3-phenylprop-2-enylidene]-lambda5-phosphane
CID 5463354
1-[(1E)-buta-1,3-dienyl]-4-(4-phenoxyphenyl)benzene
CID 141094206
hexa-1,3,5-trienylbenzene;5-phenylpenta-2,4-dienoic acid
CID 87104089
buta-1,3-diene;bis(prop-1-enylbenzene)
CID 172716960

Frequently Asked Questions

What is the IUPAC name of buta-1,3-dienylbenzene;tetrahydrochloride?
The IUPAC name of buta-1,3-dienylbenzene;tetrahydrochloride (CID 173415129) is buta-1,3-dienylbenzene;tetrahydrochloride.
What is the SMILES notation for buta-1,3-dienylbenzene;tetrahydrochloride?
The canonical SMILES for buta-1,3-dienylbenzene;tetrahydrochloride is C=CC=Cc1ccccc1.Cl.Cl.Cl.Cl.
What is the InChIKey of buta-1,3-dienylbenzene;tetrahydrochloride?
The InChIKey is RMTMUCWTPYIZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.4ClH/c1-2-3-7-10-8-5-4-6-9-10;;;;/h2-9H,1H2;4*1H.
What are the key properties of buta-1,3-dienylbenzene;tetrahydrochloride?
buta-1,3-dienylbenzene;tetrahydrochloride has a molecular weight of 276.03 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-dienylbenzene;tetrahydrochloride is sourced from PubChem (CID 173415129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).