(3E,5E)-4-chloro-3,6-dimethylocta-1,3,5,7-tetraene

C10H13Cl — CID 139683602

IUPAC(3E,5E)-4-chloro-3,6-dimethylocta-1,3,5,7-tetraene
SMILESC=C/C(C)=C/C(Cl)=C(/C)C=C
InChIInChI=1S/C10H13Cl/c1-5-8(3)7-10(11)9(4)6-2/h5-7H,1-2H2,3-4H3/b8-7+,10-9+
InChIKeyHBXCMXUJNRWIAG-XBLVEGMJSA-N
MW168.67 g/mol
LogP3.82
Rot. Bonds3

About (3E,5E)-4-chloro-3,6-dimethylocta-1,3,5,7-tetraene

(3E,5E)-4-chloro-3,6-dimethylocta-1,3,5,7-tetraene (PubChem CID 139683602) has the molecular formula C10H13Cl and a molecular weight of 168.67 g/mol. Its IUPAC name is (3E,5E)-4-chloro-3,6-dimethylocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3E,5E)-4-chloro-3,6-dimethylocta-1,3,5,7-tetraene
PubChem CID139683602
Molecular FormulaC10H13Cl
Molecular Weight168.67 g/mol
Exact Mass168.07
IUPAC Name(3E,5E)-4-chloro-3,6-dimethylocta-1,3,5,7-tetraene
SMILESC=C/C(C)=C/C(Cl)=C(/C)C=C
InChIInChI=1S/C10H13Cl/c1-5-8(3)7-10(11)9(4)6-2/h5-7H,1-2H2,3-4H3/b8-7+,10-9+
InChIKeyHBXCMXUJNRWIAG-XBLVEGMJSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.67
LogP ≤ 53.82
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

3-chloro-4-methylhexa-1,3,5-triene
CID 123411811
(3E,5E)-5-chloro-3,6-dimethylocta-3,5,7-trien-2-one
CID 155358709
(1E,3Z)-2-chloro-4-methylhexa-1,3,5-trien-1-amine
CID 89145510
3,4-dimethylpenta-1,3-diene
CID 6713443
(2E,4E)-5-chloro-3-methylhepta-2,4,6-trien-2-amine
CID 134173997
(3E)-3,4-dichloropenta-1,3-diene
CID 167302623
3,4-dichloropenta-1,3-diene
CID 91053470
2-bromo-4-methylhexa-1,3,5-triene
CID 91031136
(3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene
CID 143591783
(3Z,5E)-3,5-dimethyl-6-prop-1-en-2-ylsulfanylhepta-1,3,5-triene
CID 170050507
(3E,5Z)-3-chloro-6-methylocta-1,3,5,7-tetraene;ethane
CID 143902080
(3E)-3-chloro-6-methyl-5-methylidenehepta-1,3,6-triene
CID 142076420

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-4-chloro-3,6-dimethylocta-1,3,5,7-tetraene?
The IUPAC name of (3E,5E)-4-chloro-3,6-dimethylocta-1,3,5,7-tetraene (CID 139683602) is (3E,5E)-4-chloro-3,6-dimethylocta-1,3,5,7-tetraene.
What is the SMILES notation for (3E,5E)-4-chloro-3,6-dimethylocta-1,3,5,7-tetraene?
The canonical SMILES for (3E,5E)-4-chloro-3,6-dimethylocta-1,3,5,7-tetraene is C=C/C(C)=C/C(Cl)=C(/C)C=C.
What is the InChIKey of (3E,5E)-4-chloro-3,6-dimethylocta-1,3,5,7-tetraene?
The InChIKey is HBXCMXUJNRWIAG-XBLVEGMJSA-N. The full InChI is InChI=1S/C10H13Cl/c1-5-8(3)7-10(11)9(4)6-2/h5-7H,1-2H2,3-4H3/b8-7+,10-9+.
What are the key properties of (3E,5E)-4-chloro-3,6-dimethylocta-1,3,5,7-tetraene?
(3E,5E)-4-chloro-3,6-dimethylocta-1,3,5,7-tetraene has a molecular weight of 168.67 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-4-chloro-3,6-dimethylocta-1,3,5,7-tetraene is sourced from PubChem (CID 139683602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).