(2Z,4Z,6Z)-6-chloro-4-methylnona-2,4,6-triene

C10H15Cl — CID 142050901

IUPAC(2Z,4Z,6Z)-6-chloro-4-methylnona-2,4,6-triene
SMILESC/C=C\C(C)=C/C(Cl)=C/CC
InChIInChI=1S/C10H15Cl/c1-4-6-9(3)8-10(11)7-5-2/h4,6-8H,5H2,1-3H3/b6-4-,9-8-,10-7-
InChIKeyCYRHEOIPNNDCKD-FQUDOGMCSA-N
MW170.68 g/mol
LogP4.04
Rot. Bonds3

About (2Z,4Z,6Z)-6-chloro-4-methylnona-2,4,6-triene

(2Z,4Z,6Z)-6-chloro-4-methylnona-2,4,6-triene (PubChem CID 142050901) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is (2Z,4Z,6Z)-6-chloro-4-methylnona-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4Z,6Z)-6-chloro-4-methylnona-2,4,6-triene
PubChem CID142050901
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name(2Z,4Z,6Z)-6-chloro-4-methylnona-2,4,6-triene
SMILESC/C=C\C(C)=C/C(Cl)=C/CC
InChIInChI=1S/C10H15Cl/c1-4-6-9(3)8-10(11)7-5-2/h4,6-8H,5H2,1-3H3/b6-4-,9-8-,10-7-
InChIKeyCYRHEOIPNNDCKD-FQUDOGMCSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 54.04
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

benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene
CID 144597093
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CID 58952072
3-methylhexa-2,4-dienoyl chloride
CID 71402233
(4Z,6E)-3,5-dimethylocta-2,4,6-triene
CID 144536479
3-methylhexa-1,3-dien-1-ol
CID 154284508
4-ethylidene-5-methylocta-2,5-diene
CID 123325862
ethane;(2Z,4Z)-4-methylocta-2,4-diene
CID 176669998
4-methylnona-2,4-diene
CID 123785331
ethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene
CID 142050106
(2E,4Z)-4-methylnona-2,4-diene
CID 139728618
(2E,4Z)-3-chloro-4-methylhepta-2,4-diene
CID 134365693
(2Z,4Z)-4-methyl-6-methylidenedeca-2,4-diene
CID 142960534

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z)-6-chloro-4-methylnona-2,4,6-triene?
The IUPAC name of (2Z,4Z,6Z)-6-chloro-4-methylnona-2,4,6-triene (CID 142050901) is (2Z,4Z,6Z)-6-chloro-4-methylnona-2,4,6-triene.
What is the SMILES notation for (2Z,4Z,6Z)-6-chloro-4-methylnona-2,4,6-triene?
The canonical SMILES for (2Z,4Z,6Z)-6-chloro-4-methylnona-2,4,6-triene is C/C=C\C(C)=C/C(Cl)=C/CC.
What is the InChIKey of (2Z,4Z,6Z)-6-chloro-4-methylnona-2,4,6-triene?
The InChIKey is CYRHEOIPNNDCKD-FQUDOGMCSA-N. The full InChI is InChI=1S/C10H15Cl/c1-4-6-9(3)8-10(11)7-5-2/h4,6-8H,5H2,1-3H3/b6-4-,9-8-,10-7-.
What are the key properties of (2Z,4Z,6Z)-6-chloro-4-methylnona-2,4,6-triene?
(2Z,4Z,6Z)-6-chloro-4-methylnona-2,4,6-triene has a molecular weight of 170.68 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z)-6-chloro-4-methylnona-2,4,6-triene is sourced from PubChem (CID 142050901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).