(3E,7E)-3,8-dichloro-5,6-dimethylidenedeca-1,3,7,9-tetraene

C12H12Cl2 — CID 145158883

IUPAC(3E,7E)-3,8-dichloro-5,6-dimethylidenedeca-1,3,7,9-tetraene
SMILESC=C/C(Cl)=C\C(=C)C(=C)/C=C(/Cl)C=C
InChIInChI=1S/C12H12Cl2/c1-5-11(13)7-9(3)10(4)8-12(14)6-2/h5-8H,1-4H2/b11-7+,12-8+
InChIKeyRNXPNLVFJMPFBJ-MKICQXMISA-N
MW227.13 g/mol
LogP4.72
Rot. Bonds5

About (3E,7E)-3,8-dichloro-5,6-dimethylidenedeca-1,3,7,9-tetraene

(3E,7E)-3,8-dichloro-5,6-dimethylidenedeca-1,3,7,9-tetraene (PubChem CID 145158883) has the molecular formula C12H12Cl2 and a molecular weight of 227.13 g/mol. Its IUPAC name is (3E,7E)-3,8-dichloro-5,6-dimethylidenedeca-1,3,7,9-tetraene.

Molecular Properties

Compound Name(3E,7E)-3,8-dichloro-5,6-dimethylidenedeca-1,3,7,9-tetraene
PubChem CID145158883
Molecular FormulaC12H12Cl2
Molecular Weight227.13 g/mol
Exact Mass226.03
IUPAC Name(3E,7E)-3,8-dichloro-5,6-dimethylidenedeca-1,3,7,9-tetraene
SMILESC=C/C(Cl)=C\C(=C)C(=C)/C=C(/Cl)C=C
InChIInChI=1S/C12H12Cl2/c1-5-11(13)7-9(3)10(4)8-12(14)6-2/h5-8H,1-4H2/b11-7+,12-8+
InChIKeyRNXPNLVFJMPFBJ-MKICQXMISA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 54.72
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

(3E)-3-chloro-6-methyl-5-methylidenehepta-1,3,6-triene
CID 142076420
(3E)-2,4-dichlorohexa-1,3,5-triene
CID 135244862
(3E)-4-chlorohexa-1,3,5-trien-2-ol
CID 89259712
(3E)-4-chloro-2-iodohexa-1,3,5-triene
CID 167082168
(4E)-5-chloro-3-methylidenehepta-4,6-dienoic acid
CID 129167167
(2E,4E)-5-chloro-3-methylhepta-2,4,6-trien-2-amine
CID 134173997
(3E)-3-chloro-5-fluoro-6-methylhepta-1,3,5-triene
CID 143795791
(1Z)-2-chloro-1-iodobuta-1,3-diene
CID 88597183
(3E)-3-chloro-8-methyl-5-methylidenenona-1,3-dien-6-yne
CID 154695464
(3Z)-2,3,4-trichlorohexa-1,3,5-triene
CID 88891012
(3E,5E)-5-chloro-3-ethenyl-2-methylhepta-1,3,5-triene
CID 144627695
3,4-dichloropenta-1,3-diene
CID 91053470

Frequently Asked Questions

What is the IUPAC name of (3E,7E)-3,8-dichloro-5,6-dimethylidenedeca-1,3,7,9-tetraene?
The IUPAC name of (3E,7E)-3,8-dichloro-5,6-dimethylidenedeca-1,3,7,9-tetraene (CID 145158883) is (3E,7E)-3,8-dichloro-5,6-dimethylidenedeca-1,3,7,9-tetraene.
What is the SMILES notation for (3E,7E)-3,8-dichloro-5,6-dimethylidenedeca-1,3,7,9-tetraene?
The canonical SMILES for (3E,7E)-3,8-dichloro-5,6-dimethylidenedeca-1,3,7,9-tetraene is C=C/C(Cl)=C\C(=C)C(=C)/C=C(/Cl)C=C.
What is the InChIKey of (3E,7E)-3,8-dichloro-5,6-dimethylidenedeca-1,3,7,9-tetraene?
The InChIKey is RNXPNLVFJMPFBJ-MKICQXMISA-N. The full InChI is InChI=1S/C12H12Cl2/c1-5-11(13)7-9(3)10(4)8-12(14)6-2/h5-8H,1-4H2/b11-7+,12-8+.
What are the key properties of (3E,7E)-3,8-dichloro-5,6-dimethylidenedeca-1,3,7,9-tetraene?
(3E,7E)-3,8-dichloro-5,6-dimethylidenedeca-1,3,7,9-tetraene has a molecular weight of 227.13 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E)-3,8-dichloro-5,6-dimethylidenedeca-1,3,7,9-tetraene is sourced from PubChem (CID 145158883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).