4-chloro-5-methylhepta-2,4-diene

C8H13Cl — CID 123851314

IUPAC4-chloro-5-methylhepta-2,4-diene
SMILESCC=CC(Cl)=C(C)CC
InChIInChI=1S/C8H13Cl/c1-4-6-8(9)7(3)5-2/h4,6H,5H2,1-3H3
InChIKeyRCTDANZAYCQMEB-UHFFFAOYSA-N
MW144.64 g/mol
LogP3.49
Rot. Bonds2

About 4-chloro-5-methylhepta-2,4-diene

4-chloro-5-methylhepta-2,4-diene (PubChem CID 123851314) has the molecular formula C8H13Cl and a molecular weight of 144.64 g/mol. Its IUPAC name is 4-chloro-5-methylhepta-2,4-diene.

Molecular Properties

Compound Name4-chloro-5-methylhepta-2,4-diene
PubChem CID123851314
Molecular FormulaC8H13Cl
Molecular Weight144.64 g/mol
Exact Mass144.07
IUPAC Name4-chloro-5-methylhepta-2,4-diene
SMILESCC=CC(Cl)=C(C)CC
InChIInChI=1S/C8H13Cl/c1-4-6-8(9)7(3)5-2/h4,6H,5H2,1-3H3
InChIKeyRCTDANZAYCQMEB-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.64
LogP ≤ 53.49
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

4-fluoro-5-methylhepta-2,4-diene
CID 123466906
4-methoxy-5-methylhepta-2,4-diene
CID 91556490
CID 123497420
CID 123497420
N-(1,3-dichloro-4-methylhexa-1,3-dienyl)propan-2-imine
CID 123746419
(2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine
CID 145473645
(4Z,6E)-5-chloroocta-4,6-dien-3-one
CID 15719472
butan-2-one;bis((E)-pent-3-en-2-one);propan-2-one
CID 157357087
(2Z,4Z,6Z)-6-chloro-4-methylnona-2,4,6-triene
CID 142050901
(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene
CID 157171896
4-chloro-3-ethoxycarbonylhepta-3,5-dienoic acid
CID 54463365
(E)-but-2-ene;2-methylbut-1-ene
CID 160732245
but-2-ene;2-methylbut-1-ene
CID 160732246

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methylhepta-2,4-diene?
The IUPAC name of 4-chloro-5-methylhepta-2,4-diene (CID 123851314) is 4-chloro-5-methylhepta-2,4-diene.
What is the SMILES notation for 4-chloro-5-methylhepta-2,4-diene?
The canonical SMILES for 4-chloro-5-methylhepta-2,4-diene is CC=CC(Cl)=C(C)CC.
What is the InChIKey of 4-chloro-5-methylhepta-2,4-diene?
The InChIKey is RCTDANZAYCQMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl/c1-4-6-8(9)7(3)5-2/h4,6H,5H2,1-3H3.
What are the key properties of 4-chloro-5-methylhepta-2,4-diene?
4-chloro-5-methylhepta-2,4-diene has a molecular weight of 144.64 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methylhepta-2,4-diene is sourced from PubChem (CID 123851314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).