(3E,5Z)-4-chloro-5-methylocta-3,5-diene;ethane;ethene

C13H25Cl — CID 143348498

IUPAC(3E,5Z)-4-chloro-5-methylocta-3,5-diene;ethane;ethene
SMILESC=C.CC.CC/C=C(C)\C(Cl)=C/CC
InChIInChI=1S/C9H15Cl.C2H6.C2H4/c1-4-6-8(3)9(10)7-5-2;2*1-2/h6-7H,4-5H2,1-3H3;1-2H3;1-2H2/b8-6-,9-7+;;
InChIKeyBQOIGFNULUUNEY-UYYQRFHASA-N
MW216.80 g/mol
LogP5.70
Rot. Bonds3

About (3E,5Z)-4-chloro-5-methylocta-3,5-diene;ethane;ethene

(3E,5Z)-4-chloro-5-methylocta-3,5-diene;ethane;ethene (PubChem CID 143348498) has the molecular formula C13H25Cl and a molecular weight of 216.80 g/mol. Its IUPAC name is (3E,5Z)-4-chloro-5-methylocta-3,5-diene;ethane;ethene.

Molecular Properties

Compound Name(3E,5Z)-4-chloro-5-methylocta-3,5-diene;ethane;ethene
PubChem CID143348498
Molecular FormulaC13H25Cl
Molecular Weight216.80 g/mol
Exact Mass216.16
IUPAC Name(3E,5Z)-4-chloro-5-methylocta-3,5-diene;ethane;ethene
SMILESC=C.CC.CC/C=C(C)\C(Cl)=C/CC
InChIInChI=1S/C9H15Cl.C2H6.C2H4/c1-4-6-8(3)9(10)7-5-2;2*1-2/h6-7H,4-5H2,1-3H3;1-2H3;1-2H2/b8-6-,9-7+;;
InChIKeyBQOIGFNULUUNEY-UYYQRFHASA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.80
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-3-chloro-4-methylhepta-2,4-diene
CID 134365693
(3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene
CID 134389909
(3Z,8Z)-4,8-dichloroundeca-3,8-diene-5,6,7-trione
CID 88840980
(2E,4E)-3-bromo-5-chloro-2-[(Z)-1-chlorobut-1-enyl]hexa-2,4-dienoic acid
CID 134396333
2,3-dichloro-5-methylocta-1,3,5-triene
CID 123372962
(E)-3-[(Z)-3-bromoprop-1-enyl]hex-3-en-2-one;ethene
CID 144806121
(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
CID 143688525
N-[(E)-pent-2-en-2-yl]methanimine
CID 154559491
(3E,5E)-5-chloro-N,3-dimethylocta-3,5-dien-4-amine
CID 171794714
N-ethyl-N,2-dimethylpent-2-enehydrazonoyl chloride
CID 123348699
(E)-2-methylpent-2-enethioate
CID 6365955
(E)-2-methylpent-2-enoate
CID 7006461

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-chloro-5-methylocta-3,5-diene;ethane;ethene?
The IUPAC name of (3E,5Z)-4-chloro-5-methylocta-3,5-diene;ethane;ethene (CID 143348498) is (3E,5Z)-4-chloro-5-methylocta-3,5-diene;ethane;ethene.
What is the SMILES notation for (3E,5Z)-4-chloro-5-methylocta-3,5-diene;ethane;ethene?
The canonical SMILES for (3E,5Z)-4-chloro-5-methylocta-3,5-diene;ethane;ethene is C=C.CC.CC/C=C(C)\C(Cl)=C/CC.
What is the InChIKey of (3E,5Z)-4-chloro-5-methylocta-3,5-diene;ethane;ethene?
The InChIKey is BQOIGFNULUUNEY-UYYQRFHASA-N. The full InChI is InChI=1S/C9H15Cl.C2H6.C2H4/c1-4-6-8(3)9(10)7-5-2;2*1-2/h6-7H,4-5H2,1-3H3;1-2H3;1-2H2/b8-6-,9-7+;;.
What are the key properties of (3E,5Z)-4-chloro-5-methylocta-3,5-diene;ethane;ethene?
(3E,5Z)-4-chloro-5-methylocta-3,5-diene;ethane;ethene has a molecular weight of 216.80 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-chloro-5-methylocta-3,5-diene;ethane;ethene is sourced from PubChem (CID 143348498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).