hexa-1,5-dien-3-ol;hydrochloride

C6H11ClO — CID 174661515

IUPAChexa-1,5-dien-3-ol;hydrochloride
SMILESC=CCC(O)C=C.Cl
InChIInChI=1S/C6H10O.ClH/c1-3-5-6(7)4-2;/h3-4,6-7H,1-2,5H2;1H
InChIKeyHYXHKFSKZVPVIA-UHFFFAOYSA-N
MW134.61 g/mol
LogP1.53
Rot. Bonds3

About hexa-1,5-dien-3-ol;hydrochloride

hexa-1,5-dien-3-ol;hydrochloride (PubChem CID 174661515) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is hexa-1,5-dien-3-ol;hydrochloride.

Molecular Properties

Compound Namehexa-1,5-dien-3-ol;hydrochloride
PubChem CID174661515
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Namehexa-1,5-dien-3-ol;hydrochloride
SMILESC=CCC(O)C=C.Cl
InChIInChI=1S/C6H10O.ClH/c1-3-5-6(7)4-2;/h3-4,6-7H,1-2,5H2;1H
InChIKeyHYXHKFSKZVPVIA-UHFFFAOYSA-N
XLogP1.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-ethenylhex-5-ene-1,1-diol
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(5E)-nona-1,5-dien-4-ol
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(5E)-2-methyldeca-5,9-diene-3,7-diol
CID 165357860
3-hexa-1,5-dien-3-yloxyhexa-1,5-diene;hydrochloride
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1,2-difluoropent-4-en-1-ol
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(3S)-hex-5-en-3-ol
CID 10749148
1-chlorobut-3-en-2-ol;chlorosilane
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hex-5-en-3-ol
CID 158321330

Frequently Asked Questions

What is the IUPAC name of hexa-1,5-dien-3-ol;hydrochloride?
The IUPAC name of hexa-1,5-dien-3-ol;hydrochloride (CID 174661515) is hexa-1,5-dien-3-ol;hydrochloride.
What is the SMILES notation for hexa-1,5-dien-3-ol;hydrochloride?
The canonical SMILES for hexa-1,5-dien-3-ol;hydrochloride is C=CCC(O)C=C.Cl.
What is the InChIKey of hexa-1,5-dien-3-ol;hydrochloride?
The InChIKey is HYXHKFSKZVPVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.ClH/c1-3-5-6(7)4-2;/h3-4,6-7H,1-2,5H2;1H.
What are the key properties of hexa-1,5-dien-3-ol;hydrochloride?
hexa-1,5-dien-3-ol;hydrochloride has a molecular weight of 134.61 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-1,5-dien-3-ol;hydrochloride is sourced from PubChem (CID 174661515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).