(3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane

C10H17Cl — CID 142924242

IUPAC(3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane
SMILESC=C(C)/C=C\C(=C)Cl.CCC
InChIInChI=1S/C7H9Cl.C3H8/c1-6(2)4-5-7(3)8;1-3-2/h4-5H,1,3H2,2H3;3H2,1-2H3/b5-4-;
InChIKeyJQBWZIJDYPSQBO-MKWAYWHRSA-N
MW172.70 g/mol
LogP4.29
Rot. Bonds2

About (3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane

(3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane (PubChem CID 142924242) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is (3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane.

Molecular Properties

Compound Name(3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane
PubChem CID142924242
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Name(3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane
SMILESC=C(C)/C=C\C(=C)Cl.CCC
InChIInChI=1S/C7H9Cl.C3H8/c1-6(2)4-5-7(3)8;1-3-2/h4-5H,1,3H2,2H3;3H2,1-2H3/b5-4-;
InChIKeyJQBWZIJDYPSQBO-MKWAYWHRSA-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)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
(3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene
CID 142010066
2-chloro-5-methylhepta-1,3,5-triene
CID 123971323
(3Z,5Z)-5,6-dichloro-2-methylhepta-1,3,5-triene
CID 88950589
(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
(3Z,5E)-2,5-dichloro-7-fluoro-6-methylhepta-1,3,5-triene
CID 135192472
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene
CID 143257359
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 144843023
(3Z,5E)-2,6-dichlorohepta-1,3,5-triene
CID 89197889
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 145336589

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane?
The IUPAC name of (3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane (CID 142924242) is (3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane.
What is the SMILES notation for (3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane?
The canonical SMILES for (3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane is C=C(C)/C=C\C(=C)Cl.CCC.
What is the InChIKey of (3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane?
The InChIKey is JQBWZIJDYPSQBO-MKWAYWHRSA-N. The full InChI is InChI=1S/C7H9Cl.C3H8/c1-6(2)4-5-7(3)8;1-3-2/h4-5H,1,3H2,2H3;3H2,1-2H3/b5-4-;.
What are the key properties of (3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane?
(3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane 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)-2-chloro-5-methylhexa-1,3,5-triene;propane is sourced from PubChem (CID 142924242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).