16-chlorohexadeca-1,6-diene

C16H29Cl — CID 71382129

IUPAC16-chlorohexadeca-1,6-diene
SMILESC=CCCCC=CCCCCCCCCCCl
InChIInChI=1S/C16H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2,6-7H,1,3-5,8-16H2
InChIKeyFVMPFYQEGPNAND-UHFFFAOYSA-N
MW256.86 g/mol
LogP6.26
Rot. Bonds13

About 16-chlorohexadeca-1,6-diene

16-chlorohexadeca-1,6-diene (PubChem CID 71382129) has the molecular formula C16H29Cl and a molecular weight of 256.86 g/mol. Its IUPAC name is 16-chlorohexadeca-1,6-diene.

Molecular Properties

Compound Name16-chlorohexadeca-1,6-diene
PubChem CID71382129
Molecular FormulaC16H29Cl
Molecular Weight256.86 g/mol
Exact Mass256.20
IUPAC Name16-chlorohexadeca-1,6-diene
SMILESC=CCCCC=CCCCCCCCCCCl
InChIInChI=1S/C16H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2,6-7H,1,3-5,8-16H2
InChIKeyFVMPFYQEGPNAND-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.86
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

icosa-1,9,19-triene
CID 57001912
1,17-dichloroheptadec-8-ene
CID 168864753
heptahexaconta-1,23,66-triene
CID 57275880
(E)-1,10-dichlorodec-5-ene
CID 12889943
dodeca-1,6,11-triene
CID 548864
1,12-dichlorododec-2-ene
CID 171472140
(6E,13E)-heptadeca-1,6,13-triene
CID 122203788
tricosa-1,6-diene
CID 175196703
heptadeca-1,16-diene
CID 6429392
heptacosa-1,26-diene
CID 58905535
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546

Frequently Asked Questions

What is the IUPAC name of 16-chlorohexadeca-1,6-diene?
The IUPAC name of 16-chlorohexadeca-1,6-diene (CID 71382129) is 16-chlorohexadeca-1,6-diene.
What is the SMILES notation for 16-chlorohexadeca-1,6-diene?
The canonical SMILES for 16-chlorohexadeca-1,6-diene is C=CCCCC=CCCCCCCCCCCl.
What is the InChIKey of 16-chlorohexadeca-1,6-diene?
The InChIKey is FVMPFYQEGPNAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2,6-7H,1,3-5,8-16H2.
What are the key properties of 16-chlorohexadeca-1,6-diene?
16-chlorohexadeca-1,6-diene has a molecular weight of 256.86 g/mol, XLogP of 6.26, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 16-chlorohexadeca-1,6-diene is sourced from PubChem (CID 71382129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).