3-hexa-1,5-dien-3-yloxyhexa-1,5-diene;hydrochloride

C12H19ClO — CID 174646215

IUPAC3-hexa-1,5-dien-3-yloxyhexa-1,5-diene;hydrochloride
SMILESC=CCC(C=C)OC(C=C)CC=C.Cl
InChIInChI=1S/C12H18O.ClH/c1-5-9-11(7-3)13-12(8-4)10-6-2;/h5-8,11-12H,1-4,9-10H2;1H
InChIKeyAXNVJQDROUVSGF-UHFFFAOYSA-N
MW214.74 g/mol
LogP3.69
Rot. Bonds8

About 3-hexa-1,5-dien-3-yloxyhexa-1,5-diene;hydrochloride

3-hexa-1,5-dien-3-yloxyhexa-1,5-diene;hydrochloride (PubChem CID 174646215) has the molecular formula C12H19ClO and a molecular weight of 214.74 g/mol. Its IUPAC name is 3-hexa-1,5-dien-3-yloxyhexa-1,5-diene;hydrochloride.

Molecular Properties

Compound Name3-hexa-1,5-dien-3-yloxyhexa-1,5-diene;hydrochloride
PubChem CID174646215
Molecular FormulaC12H19ClO
Molecular Weight214.74 g/mol
Exact Mass214.11
IUPAC Name3-hexa-1,5-dien-3-yloxyhexa-1,5-diene;hydrochloride
SMILESC=CCC(C=C)OC(C=C)CC=C.Cl
InChIInChI=1S/C12H18O.ClH/c1-5-9-11(7-3)13-12(8-4)10-6-2;/h5-8,11-12H,1-4,9-10H2;1H
InChIKeyAXNVJQDROUVSGF-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-hepta-1,6-dien-4-yloxyhepta-1,6-diene
CID 23055063
(3R)-4-methoxy-3-[(2R)-1-methoxybut-3-en-2-yl]oxybut-1-ene
CID 124562631
3-tetradeca-1,13-dien-3-yloxytetradeca-1,13-diene
CID 57120298
hexa-1,5-dien-3-yl prop-2-ynoate
CID 10374605
hexa-1,5-dien-3-ol;hydrochloride
CID 174661515
3-oct-1-en-3-yloxyoct-1-ene
CID 21413587
(3R,4S)-4-prop-2-enoxy-3-[(3R,4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene
CID 11232389
hexa-1,5-dien-3-olate
CID 101095679
O-butyl 2-methylpent-4-enethioate
CID 54255765
3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol
CID 139513174
3-methyl-2-(3-methylhexa-1,5-dien-2-yloxy)hexa-1,5-diene
CID 23092200
2-propan-2-yloxybut-3-en-1-ol
CID 130152542

Frequently Asked Questions

What is the IUPAC name of 3-hexa-1,5-dien-3-yloxyhexa-1,5-diene;hydrochloride?
The IUPAC name of 3-hexa-1,5-dien-3-yloxyhexa-1,5-diene;hydrochloride (CID 174646215) is 3-hexa-1,5-dien-3-yloxyhexa-1,5-diene;hydrochloride.
What is the SMILES notation for 3-hexa-1,5-dien-3-yloxyhexa-1,5-diene;hydrochloride?
The canonical SMILES for 3-hexa-1,5-dien-3-yloxyhexa-1,5-diene;hydrochloride is C=CCC(C=C)OC(C=C)CC=C.Cl.
What is the InChIKey of 3-hexa-1,5-dien-3-yloxyhexa-1,5-diene;hydrochloride?
The InChIKey is AXNVJQDROUVSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.ClH/c1-5-9-11(7-3)13-12(8-4)10-6-2;/h5-8,11-12H,1-4,9-10H2;1H.
What are the key properties of 3-hexa-1,5-dien-3-yloxyhexa-1,5-diene;hydrochloride?
3-hexa-1,5-dien-3-yloxyhexa-1,5-diene;hydrochloride has a molecular weight of 214.74 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexa-1,5-dien-3-yloxyhexa-1,5-diene;hydrochloride is sourced from PubChem (CID 174646215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).