(6E,8E)-1-(3-methylbutyldisulfanyl)tetradeca-6,8-diene

C19H36S2 — CID 118652296

IUPAC(6E,8E)-1-(3-methylbutyldisulfanyl)tetradeca-6,8-diene
SMILESCCCCC/C=C/C=C/CCCCCSSCCC(C)C
InChIInChI=1S/C19H36S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20-21-18-16-19(2)3/h8-11,19H,4-7,12-18H2,1-3H3/b9-8+,11-10+
InChIKeyIVIGMYWGMZBNNK-BNFZFUHLSA-N
MW328.63 g/mol
LogP7.67
Rot. Bonds15

About (6E,8E)-1-(3-methylbutyldisulfanyl)tetradeca-6,8-diene

(6E,8E)-1-(3-methylbutyldisulfanyl)tetradeca-6,8-diene (PubChem CID 118652296) has the molecular formula C19H36S2 and a molecular weight of 328.63 g/mol. Its IUPAC name is (6E,8E)-1-(3-methylbutyldisulfanyl)tetradeca-6,8-diene.

Molecular Properties

Compound Name(6E,8E)-1-(3-methylbutyldisulfanyl)tetradeca-6,8-diene
PubChem CID118652296
Molecular FormulaC19H36S2
Molecular Weight328.63 g/mol
Exact Mass328.23
IUPAC Name(6E,8E)-1-(3-methylbutyldisulfanyl)tetradeca-6,8-diene
SMILESCCCCC/C=C/C=C/CCCCCSSCCC(C)C
InChIInChI=1S/C19H36S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20-21-18-16-19(2)3/h8-11,19H,4-7,12-18H2,1-3H3/b9-8+,11-10+
InChIKeyIVIGMYWGMZBNNK-BNFZFUHLSA-N
XLogP7.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.63
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(22E)-heptatetraconta-22,24-diene
CID 56629131
(Z)-22-methyltricos-9-ene
CID 152752766
2-methylhenicos-9-ene
CID 54211724
(E)-2-methylheptadec-7-ene
CID 173124832
(E)-2-methylheptadec-8-ene
CID 20541049
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(6E)-octadeca-4,6-diene
CID 173243345
2-methylhexadeca-3,5-diene
CID 140995829
1-bromooctadeca-2,4-diene
CID 139683748
dodeca-3,5-dien-2-amine
CID 72740287
(E,5R)-2,5-dimethylheptadec-8-ene
CID 11097499

Frequently Asked Questions

What is the IUPAC name of (6E,8E)-1-(3-methylbutyldisulfanyl)tetradeca-6,8-diene?
The IUPAC name of (6E,8E)-1-(3-methylbutyldisulfanyl)tetradeca-6,8-diene (CID 118652296) is (6E,8E)-1-(3-methylbutyldisulfanyl)tetradeca-6,8-diene.
What is the SMILES notation for (6E,8E)-1-(3-methylbutyldisulfanyl)tetradeca-6,8-diene?
The canonical SMILES for (6E,8E)-1-(3-methylbutyldisulfanyl)tetradeca-6,8-diene is CCCCC/C=C/C=C/CCCCCSSCCC(C)C.
What is the InChIKey of (6E,8E)-1-(3-methylbutyldisulfanyl)tetradeca-6,8-diene?
The InChIKey is IVIGMYWGMZBNNK-BNFZFUHLSA-N. The full InChI is InChI=1S/C19H36S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20-21-18-16-19(2)3/h8-11,19H,4-7,12-18H2,1-3H3/b9-8+,11-10+.
What are the key properties of (6E,8E)-1-(3-methylbutyldisulfanyl)tetradeca-6,8-diene?
(6E,8E)-1-(3-methylbutyldisulfanyl)tetradeca-6,8-diene has a molecular weight of 328.63 g/mol, XLogP of 7.67, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E)-1-(3-methylbutyldisulfanyl)tetradeca-6,8-diene is sourced from PubChem (CID 118652296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).