(3E,5Z)-3,7-dichloro-2-methylhepta-1,3,5-triene

C8H10Cl2 — CID 143227932

IUPAC(3E,5Z)-3,7-dichloro-2-methylhepta-1,3,5-triene
SMILESC=C(C)/C(Cl)=C\C=C/CCl
InChIInChI=1S/C8H10Cl2/c1-7(2)8(10)5-3-4-6-9/h3-5H,1,6H2,2H3/b4-3-,8-5+
InChIKeySNPNWIJBTADPRG-HMRFFJRGSA-N
MW177.07 g/mol
LogP3.48
Rot. Bonds3

About (3E,5Z)-3,7-dichloro-2-methylhepta-1,3,5-triene

(3E,5Z)-3,7-dichloro-2-methylhepta-1,3,5-triene (PubChem CID 143227932) has the molecular formula C8H10Cl2 and a molecular weight of 177.07 g/mol. Its IUPAC name is (3E,5Z)-3,7-dichloro-2-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-3,7-dichloro-2-methylhepta-1,3,5-triene
PubChem CID143227932
Molecular FormulaC8H10Cl2
Molecular Weight177.07 g/mol
Exact Mass176.02
IUPAC Name(3E,5Z)-3,7-dichloro-2-methylhepta-1,3,5-triene
SMILESC=C(C)/C(Cl)=C\C=C/CCl
InChIInChI=1S/C8H10Cl2/c1-7(2)8(10)5-3-4-6-9/h3-5H,1,6H2,2H3/b4-3-,8-5+
InChIKeySNPNWIJBTADPRG-HMRFFJRGSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.07
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-3-chloro-2-methylhepta-1,3,5-triene;ethane
CID 145128135
(3E)-3-chloro-2-methylhexa-1,3,5-triene;ethane
CID 143207837
(2E)-3-chloro-N,4-dimethylpenta-2,4-dien-1-imine
CID 144929616
(3E)-3-chloro-2,5-dimethylhexa-1,3,5-triene;ethane
CID 142945518
(5Z,7E)-8-chloronona-1,5,7-triene
CID 142147168
(3Z,5E)-6-chlorohepta-3,5-dien-1-amine
CID 88940379
4-[[2-[(1E,3E)-4-chloro-5-methylhexa-1,3,5-trienoxy]acetyl]amino]-2-methylidene-N-prop-1-en-2-ylbutanamide
CID 167013080
(3Z,5E)-2,6-dichlorohepta-1,3,5-triene
CID 89197889
(2E,4Z)-2-[(1E,3Z)-5-chlorohexa-1,3,5-trienoxy]hepta-2,4-diene
CID 143036281
6-chlorohex-4-enyl 2-methylprop-2-enoate
CID 175125231
2-(1-chloroprop-1-enylsulfanyl)-3-methylocta-1,3,5-triene
CID 123179986
(3E,5Z)-3-chloroocta-1,3,5-triene
CID 143682156

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3,7-dichloro-2-methylhepta-1,3,5-triene?
The IUPAC name of (3E,5Z)-3,7-dichloro-2-methylhepta-1,3,5-triene (CID 143227932) is (3E,5Z)-3,7-dichloro-2-methylhepta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-3,7-dichloro-2-methylhepta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-3,7-dichloro-2-methylhepta-1,3,5-triene is C=C(C)/C(Cl)=C\C=C/CCl.
What is the InChIKey of (3E,5Z)-3,7-dichloro-2-methylhepta-1,3,5-triene?
The InChIKey is SNPNWIJBTADPRG-HMRFFJRGSA-N. The full InChI is InChI=1S/C8H10Cl2/c1-7(2)8(10)5-3-4-6-9/h3-5H,1,6H2,2H3/b4-3-,8-5+.
What are the key properties of (3E,5Z)-3,7-dichloro-2-methylhepta-1,3,5-triene?
(3E,5Z)-3,7-dichloro-2-methylhepta-1,3,5-triene has a molecular weight of 177.07 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3,7-dichloro-2-methylhepta-1,3,5-triene is sourced from PubChem (CID 143227932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).