(4Z,7Z,10Z,13Z)-1,17-dichloroheptadeca-4,7,10,13-tetraene

C17H26Cl2 — CID 10402593

IUPAC(4Z,7Z,10Z,13Z)-1,17-dichloroheptadeca-4,7,10,13-tetraene
SMILESClCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCl
InChIInChI=1S/C17H26Cl2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h2-5,8-11H,1,6-7,12-17H2/b4-2-,5-3-,10-8-,11-9-
InChIKeyOEWMSHDHQOFWST-BWZKLFRGSA-N
MW301.30 g/mol
LogP6.42
Rot. Bonds12

About (4Z,7Z,10Z,13Z)-1,17-dichloroheptadeca-4,7,10,13-tetraene

(4Z,7Z,10Z,13Z)-1,17-dichloroheptadeca-4,7,10,13-tetraene (PubChem CID 10402593) has the molecular formula C17H26Cl2 and a molecular weight of 301.30 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z)-1,17-dichloroheptadeca-4,7,10,13-tetraene.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z)-1,17-dichloroheptadeca-4,7,10,13-tetraene
PubChem CID10402593
Molecular FormulaC17H26Cl2
Molecular Weight301.30 g/mol
Exact Mass300.14
IUPAC Name(4Z,7Z,10Z,13Z)-1,17-dichloroheptadeca-4,7,10,13-tetraene
SMILESClCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCl
InChIInChI=1S/C17H26Cl2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h2-5,8-11H,1,6-7,12-17H2/b4-2-,5-3-,10-8-,11-9-
InChIKeyOEWMSHDHQOFWST-BWZKLFRGSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.30
LogP ≤ 56.42
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

(E)-1,10-dichlorodec-5-ene
CID 12889943
(4E,6E)-1,10-dichlorodeca-4,6-diene
CID 11310278
1,17-dichloroheptadec-8-ene
CID 168864753
(Z)-7-chlorohept-3-ene
CID 12513367
1-chlorotridec-4-ene
CID 54390291
1,12-dichlorododec-2-ene
CID 171472140
1-chlorodec-5-ene
CID 3085570
(2E,4E)-8-chloroocta-2,4-diene
CID 55302573
(Z)-16-chlorohexadec-3-en-1-ol
CID 163204745
(E)-1-chloroheptadec-7-ene
CID 5364485
[(E)-5-chloropent-1-enyl]-trimethylsilane
CID 12633074
1-chlorooctadec-9-ene
CID 558046

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,13Z)-1,17-dichloroheptadeca-4,7,10,13-tetraene?
The IUPAC name of (4Z,7Z,10Z,13Z)-1,17-dichloroheptadeca-4,7,10,13-tetraene (CID 10402593) is (4Z,7Z,10Z,13Z)-1,17-dichloroheptadeca-4,7,10,13-tetraene.
What is the SMILES notation for (4Z,7Z,10Z,13Z)-1,17-dichloroheptadeca-4,7,10,13-tetraene?
The canonical SMILES for (4Z,7Z,10Z,13Z)-1,17-dichloroheptadeca-4,7,10,13-tetraene is ClCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCl.
What is the InChIKey of (4Z,7Z,10Z,13Z)-1,17-dichloroheptadeca-4,7,10,13-tetraene?
The InChIKey is OEWMSHDHQOFWST-BWZKLFRGSA-N. The full InChI is InChI=1S/C17H26Cl2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h2-5,8-11H,1,6-7,12-17H2/b4-2-,5-3-,10-8-,11-9-.
What are the key properties of (4Z,7Z,10Z,13Z)-1,17-dichloroheptadeca-4,7,10,13-tetraene?
(4Z,7Z,10Z,13Z)-1,17-dichloroheptadeca-4,7,10,13-tetraene has a molecular weight of 301.30 g/mol, XLogP of 6.42, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,13Z)-1,17-dichloroheptadeca-4,7,10,13-tetraene is sourced from PubChem (CID 10402593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).