(3Z,5Z)-2-(chloromethyl)hepta-1,3,5-triene

C8H11Cl — CID 143341887

IUPAC(3Z,5Z)-2-(chloromethyl)hepta-1,3,5-triene
SMILESC=C(/C=C\C=C/C)CCl
InChIInChI=1S/C8H11Cl/c1-3-4-5-6-8(2)7-9/h3-6H,2,7H2,1H3/b4-3-,6-5-
InChIKeyIKKVQWNNNABCNS-OUPQRBNQSA-N
MW142.63 g/mol
LogP2.91
Rot. Bonds3

About (3Z,5Z)-2-(chloromethyl)hepta-1,3,5-triene

(3Z,5Z)-2-(chloromethyl)hepta-1,3,5-triene (PubChem CID 143341887) has the molecular formula C8H11Cl and a molecular weight of 142.63 g/mol. Its IUPAC name is (3Z,5Z)-2-(chloromethyl)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-2-(chloromethyl)hepta-1,3,5-triene
PubChem CID143341887
Molecular FormulaC8H11Cl
Molecular Weight142.63 g/mol
Exact Mass142.05
IUPAC Name(3Z,5Z)-2-(chloromethyl)hepta-1,3,5-triene
SMILESC=C(/C=C\C=C/C)CCl
InChIInChI=1S/C8H11Cl/c1-3-4-5-6-8(2)7-9/h3-6H,2,7H2,1H3/b4-3-,6-5-
InChIKeyIKKVQWNNNABCNS-OUPQRBNQSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.63
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene
CID 143380166
2-methylhepta-1,3,5-triene
CID 54571604
(4Z,6Z)-N-[(E)-2-methylbut-2-enyl]-3-methylideneocta-4,6-dien-1-amine
CID 145042717
(3Z,5Z)-N-methyl-2-methylidenehepta-3,5-diene-1-sulfonamide
CID 134526328
(3Z,5Z)-2-methylidene-N-(1-phosphanylethyl)hepta-3,5-dien-1-amine
CID 176995030
chloromethyl (2E,4E)-hexa-2,4-dienoate
CID 88646612
N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N-methylhydroxylamine
CID 142817830
ethane;(5Z,7Z)-4-methylidenenona-5,7-dien-3-one
CID 177053569
(4E)-hexa-2,4-diene
CID 22435466
(3Z,5Z)-2-methylsulfinylhepta-1,3,5-triene
CID 142884054
(3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine
CID 137427597
ethane;(3Z,5Z)-2-methylidenehepta-3,5-dienoic acid
CID 176938784

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-2-(chloromethyl)hepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-2-(chloromethyl)hepta-1,3,5-triene (CID 143341887) is (3Z,5Z)-2-(chloromethyl)hepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-2-(chloromethyl)hepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-2-(chloromethyl)hepta-1,3,5-triene is C=C(/C=C\C=C/C)CCl.
What is the InChIKey of (3Z,5Z)-2-(chloromethyl)hepta-1,3,5-triene?
The InChIKey is IKKVQWNNNABCNS-OUPQRBNQSA-N. The full InChI is InChI=1S/C8H11Cl/c1-3-4-5-6-8(2)7-9/h3-6H,2,7H2,1H3/b4-3-,6-5-.
What are the key properties of (3Z,5Z)-2-(chloromethyl)hepta-1,3,5-triene?
(3Z,5Z)-2-(chloromethyl)hepta-1,3,5-triene has a molecular weight of 142.63 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2-(chloromethyl)hepta-1,3,5-triene is sourced from PubChem (CID 143341887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).