(2E,4Z)-5-chloro-3,4-dimethylhepta-2,4-diene

C9H15Cl — CID 5466616

IUPAC(2E,4Z)-5-chloro-3,4-dimethylhepta-2,4-diene
SMILESC/C=C(C)/C(C)=C(\Cl)CC
InChIInChI=1S/C9H15Cl/c1-5-7(3)8(4)9(10)6-2/h5H,6H2,1-4H3/b7-5+,9-8-
InChIKeyFTVRCVPBCUYCEF-WGKMIZOUSA-N
MW158.67 g/mol
LogP3.88
Rot. Bonds2

About (2E,4Z)-5-chloro-3,4-dimethylhepta-2,4-diene

(2E,4Z)-5-chloro-3,4-dimethylhepta-2,4-diene (PubChem CID 5466616) has the molecular formula C9H15Cl and a molecular weight of 158.67 g/mol. Its IUPAC name is (2E,4Z)-5-chloro-3,4-dimethylhepta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-5-chloro-3,4-dimethylhepta-2,4-diene
PubChem CID5466616
Molecular FormulaC9H15Cl
Molecular Weight158.67 g/mol
Exact Mass158.09
IUPAC Name(2E,4Z)-5-chloro-3,4-dimethylhepta-2,4-diene
SMILESC/C=C(C)/C(C)=C(\Cl)CC
InChIInChI=1S/C9H15Cl/c1-5-7(3)8(4)9(10)6-2/h5H,6H2,1-4H3/b7-5+,9-8-
InChIKeyFTVRCVPBCUYCEF-WGKMIZOUSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.67
LogP ≤ 53.88
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

(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene
CID 157171896
methane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene
CID 144531005
3,4,5-trimethylocta-2,4-diene
CID 54130832
(2E,4E)-3-chloro-4-methylhexa-2,4-diene
CID 144881420
(E)-3-chloro-N,2-dimethylpent-2-en-1-imine
CID 176921489
(Z)-1,2-dichloro-1-[(Z)-1,2-dichlorobut-1-enoxy]but-1-ene
CID 88794570
2,3,4,5,6-pentamethylocta-2,4,6-triene
CID 59782678
(Z)-N,4-dimethylhex-4-en-3-imine
CID 176566678
(2E,4Z)-3-chloro-4-methylhepta-2,4-diene
CID 134365693
(Z)-3-chloro-2-ethoxypent-2-ene
CID 144636932
(3E,5Z)-3-chloro-5-ethyl-4-methylhepta-1,3,5-triene
CID 144845951
(E)-3-chloro-4-iodohex-3-ene
CID 13028137

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-chloro-3,4-dimethylhepta-2,4-diene?
The IUPAC name of (2E,4Z)-5-chloro-3,4-dimethylhepta-2,4-diene (CID 5466616) is (2E,4Z)-5-chloro-3,4-dimethylhepta-2,4-diene.
What is the SMILES notation for (2E,4Z)-5-chloro-3,4-dimethylhepta-2,4-diene?
The canonical SMILES for (2E,4Z)-5-chloro-3,4-dimethylhepta-2,4-diene is C/C=C(C)/C(C)=C(\Cl)CC.
What is the InChIKey of (2E,4Z)-5-chloro-3,4-dimethylhepta-2,4-diene?
The InChIKey is FTVRCVPBCUYCEF-WGKMIZOUSA-N. The full InChI is InChI=1S/C9H15Cl/c1-5-7(3)8(4)9(10)6-2/h5H,6H2,1-4H3/b7-5+,9-8-.
What are the key properties of (2E,4Z)-5-chloro-3,4-dimethylhepta-2,4-diene?
(2E,4Z)-5-chloro-3,4-dimethylhepta-2,4-diene has a molecular weight of 158.67 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-chloro-3,4-dimethylhepta-2,4-diene is sourced from PubChem (CID 5466616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).