(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride

C10H19ClO — CID 126649589

IUPAC(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
SMILESCC(C)=CCC/C(C)=C/CO.Cl
InChIInChI=1S/C10H18O.ClH/c1-9(2)5-4-6-10(3)7-8-11;/h5,7,11H,4,6,8H2,1-3H3;1H/b10-7+;
InChIKeyVHAQVYOYIPYPII-HCUGZAAXSA-N
MW190.71 g/mol
LogP3.09
Rot. Bonds4

About (2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride

(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride (PubChem CID 126649589) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is (2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride.

Molecular Properties

Compound Name(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
PubChem CID126649589
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
SMILESCC(C)=CCC/C(C)=C/CO.Cl
InChIInChI=1S/C10H18O.ClH/c1-9(2)5-4-6-10(3)7-8-11;/h5,7,11H,4,6,8H2,1-3H3;1H/b10-7+;
InChIKeyVHAQVYOYIPYPII-HCUGZAAXSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.71
LogP ≤ 53.09
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

(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CID 173407117
(2E,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol
CID 10236560
(2Z,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol
CID 23466450
(2E,4R,6E,10E)-4-deuterio-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
CID 25239942
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(E)-but-2-enoic acid;(2E)-3,7-dimethylocta-2,6-dien-1-ol
CID 175185571
(2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol;methoxymethane
CID 23466441

Frequently Asked Questions

What is the IUPAC name of (2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride?
The IUPAC name of (2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride (CID 126649589) is (2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride.
What is the SMILES notation for (2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride?
The canonical SMILES for (2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride is CC(C)=CCC/C(C)=C/CO.Cl.
What is the InChIKey of (2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride?
The InChIKey is VHAQVYOYIPYPII-HCUGZAAXSA-N. The full InChI is InChI=1S/C10H18O.ClH/c1-9(2)5-4-6-10(3)7-8-11;/h5,7,11H,4,6,8H2,1-3H3;1H/b10-7+;.
What are the key properties of (2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride?
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride has a molecular weight of 190.71 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride is sourced from PubChem (CID 126649589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).