(3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane

C10H17Cl — CID 143320084

IUPAC(3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane
SMILESC=C(Cl)/C=C(/C)C(=C)C.CC
InChIInChI=1S/C8H11Cl.C2H6/c1-6(2)7(3)5-8(4)9;1-2/h5H,1,4H2,2-3H3;1-2H3/b7-5-;
InChIKeyRXCVNHGJVKKHQR-YJOCEBFMSA-N
MW172.70 g/mol
LogP4.29
Rot. Bonds2

About (3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane

(3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane (PubChem CID 143320084) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is (3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane.

Molecular Properties

Compound Name(3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane
PubChem CID143320084
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Name(3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane
SMILESC=C(Cl)/C=C(/C)C(=C)C.CC
InChIInChI=1S/C8H11Cl.C2H6/c1-6(2)7(3)5-8(4)9;1-2/h5H,1,4H2,2-3H3;1-2H3/b7-5-;
InChIKeyRXCVNHGJVKKHQR-YJOCEBFMSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.70
LogP ≤ 54.29
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

(3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene
CID 143318485
(3Z,5E)-2,5-dichloro-4-methylhepta-1,3,5-triene
CID 142202434
(2E)-4-chloro-2-methylpenta-2,4-dienamide
CID 88966274
(3E)-5-chloro-3-methoxy-2-methylhexa-1,3,5-triene;ethane
CID 144678723
(3E)-4,5-dimethylhexa-1,3,5-triene-2-thiol
CID 176921719
(3E)-3-chloro-2,5-dimethylhexa-1,3,5-triene;ethane
CID 142945518
(3E)-5-chloro-2,2-dimethyl-3-prop-1-en-2-ylhexa-3,5-dien-1-ol;ethane
CID 144677825
(3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane
CID 145064081
(3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene
CID 142150750
(1Z)-2,3-dimethylbuta-1,3-dien-1-ol
CID 143116210
2,3-dimethylbuta-1,3-diene;ethane
CID 156868132
methyl (2E)-3,4-dimethylpenta-2,4-dienoate
CID 12685430

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane?
The IUPAC name of (3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane (CID 143320084) is (3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane.
What is the SMILES notation for (3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane?
The canonical SMILES for (3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane is C=C(Cl)/C=C(/C)C(=C)C.CC.
What is the InChIKey of (3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane?
The InChIKey is RXCVNHGJVKKHQR-YJOCEBFMSA-N. The full InChI is InChI=1S/C8H11Cl.C2H6/c1-6(2)7(3)5-8(4)9;1-2/h5H,1,4H2,2-3H3;1-2H3/b7-5-;.
What are the key properties of (3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane?
(3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane has a molecular weight of 172.70 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane is sourced from PubChem (CID 143320084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).