(2Z,4Z,6Z)-5-[(Z)-4-chloropent-2-en-3-yl]-4-ethylnona-2,4,6-triene

C16H25Cl — CID 145296991

IUPAC(2Z,4Z,6Z)-5-[(Z)-4-chloropent-2-en-3-yl]-4-ethylnona-2,4,6-triene
SMILESC/C=C\C(CC)=C(\C=C/CC)C(=C/C)/C(C)Cl
InChIInChI=1S/C16H25Cl/c1-6-10-12-16(14(8-3)11-7-2)15(9-4)13(5)17/h7,9-13H,6,8H2,1-5H3/b11-7-,12-10-,15-9+,16-14-
InChIKeyBFLBSCRWMBYFKI-BHJZCCIMSA-N
MW252.83 g/mol
LogP5.81
Rot. Bonds6

About (2Z,4Z,6Z)-5-[(Z)-4-chloropent-2-en-3-yl]-4-ethylnona-2,4,6-triene

(2Z,4Z,6Z)-5-[(Z)-4-chloropent-2-en-3-yl]-4-ethylnona-2,4,6-triene (PubChem CID 145296991) has the molecular formula C16H25Cl and a molecular weight of 252.83 g/mol. Its IUPAC name is (2Z,4Z,6Z)-5-[(Z)-4-chloropent-2-en-3-yl]-4-ethylnona-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4Z,6Z)-5-[(Z)-4-chloropent-2-en-3-yl]-4-ethylnona-2,4,6-triene
PubChem CID145296991
Molecular FormulaC16H25Cl
Molecular Weight252.83 g/mol
Exact Mass252.16
IUPAC Name(2Z,4Z,6Z)-5-[(Z)-4-chloropent-2-en-3-yl]-4-ethylnona-2,4,6-triene
SMILESC/C=C\C(CC)=C(\C=C/CC)C(=C/C)/C(C)Cl
InChIInChI=1S/C16H25Cl/c1-6-10-12-16(14(8-3)11-7-2)15(9-4)13(5)17/h7,9-13H,6,8H2,1-5H3/b11-7-,12-10-,15-9+,16-14-
InChIKeyBFLBSCRWMBYFKI-BHJZCCIMSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.83
LogP ≤ 55.81
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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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z)-5-[(Z)-4-chloropent-2-en-3-yl]-4-ethylnona-2,4,6-triene?
The IUPAC name of (2Z,4Z,6Z)-5-[(Z)-4-chloropent-2-en-3-yl]-4-ethylnona-2,4,6-triene (CID 145296991) is (2Z,4Z,6Z)-5-[(Z)-4-chloropent-2-en-3-yl]-4-ethylnona-2,4,6-triene.
What is the SMILES notation for (2Z,4Z,6Z)-5-[(Z)-4-chloropent-2-en-3-yl]-4-ethylnona-2,4,6-triene?
The canonical SMILES for (2Z,4Z,6Z)-5-[(Z)-4-chloropent-2-en-3-yl]-4-ethylnona-2,4,6-triene is C/C=C\C(CC)=C(\C=C/CC)C(=C/C)/C(C)Cl.
What is the InChIKey of (2Z,4Z,6Z)-5-[(Z)-4-chloropent-2-en-3-yl]-4-ethylnona-2,4,6-triene?
The InChIKey is BFLBSCRWMBYFKI-BHJZCCIMSA-N. The full InChI is InChI=1S/C16H25Cl/c1-6-10-12-16(14(8-3)11-7-2)15(9-4)13(5)17/h7,9-13H,6,8H2,1-5H3/b11-7-,12-10-,15-9+,16-14-.
What are the key properties of (2Z,4Z,6Z)-5-[(Z)-4-chloropent-2-en-3-yl]-4-ethylnona-2,4,6-triene?
(2Z,4Z,6Z)-5-[(Z)-4-chloropent-2-en-3-yl]-4-ethylnona-2,4,6-triene has a molecular weight of 252.83 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z)-5-[(Z)-4-chloropent-2-en-3-yl]-4-ethylnona-2,4,6-triene is sourced from PubChem (CID 145296991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).