(6Z,9Z)-17,17-dimethyloctadeca-6,9-diene

C20H38 — CID 140816107

IUPAC(6Z,9Z)-17,17-dimethyloctadeca-6,9-diene
SMILESCCCCC/C=C\C/C=C\CCCCCCC(C)(C)C
InChIInChI=1S/C20H38/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h9-10,12-13H,5-8,11,14-19H2,1-4H3/b10-9-,13-12-
InChIKeyMQSLDTIRGQZBFV-UTJQPWESSA-N
MW278.52 g/mol
LogP7.46
Rot. Bonds12

About (6Z,9Z)-17,17-dimethyloctadeca-6,9-diene

(6Z,9Z)-17,17-dimethyloctadeca-6,9-diene (PubChem CID 140816107) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is (6Z,9Z)-17,17-dimethyloctadeca-6,9-diene.

Molecular Properties

Compound Name(6Z,9Z)-17,17-dimethyloctadeca-6,9-diene
PubChem CID140816107
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name(6Z,9Z)-17,17-dimethyloctadeca-6,9-diene
SMILESCCCCC/C=C\C/C=C\CCCCCCC(C)(C)C
InChIInChI=1S/C20H38/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h9-10,12-13H,5-8,11,14-19H2,1-4H3/b10-9-,13-12-
InChIKeyMQSLDTIRGQZBFV-UTJQPWESSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2,2-dimethylnonadec-7-ene
CID 176613705
2,2-dimethylheptadecane;(E)-16,16-dimethylheptadec-7-ene;(6E,9E)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonadecane;(3E,6E,9E)-18,18-dimethylnonadeca-3,6,9-triene;(E)-18,18-dimethylnonadec-9-ene;2,2-dimethylnonane;2,2-dimethylpentadecane;(E)-14,14-dimethylpentadec-5-ene;2,2-dimethyltridecane;2,2-dimethylundecane
CID 160564214
(Z)-2,2-dimethyldodec-5-ene
CID 153455160
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
(4Z,7Z)-12,12-dimethyltrideca-4,7-diene
CID 176739727
(E)-10,10-dimethylundec-5-ene
CID 142794628
(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
heptadeca-5,8,11-triene
CID 54101473
(5E,8E)-tetradeca-5,8-diene
CID 13430684
(3Z,6Z,9Z,12Z,15Z,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene
CID 140672812

Frequently Asked Questions

What is the IUPAC name of (6Z,9Z)-17,17-dimethyloctadeca-6,9-diene?
The IUPAC name of (6Z,9Z)-17,17-dimethyloctadeca-6,9-diene (CID 140816107) is (6Z,9Z)-17,17-dimethyloctadeca-6,9-diene.
What is the SMILES notation for (6Z,9Z)-17,17-dimethyloctadeca-6,9-diene?
The canonical SMILES for (6Z,9Z)-17,17-dimethyloctadeca-6,9-diene is CCCCC/C=C\C/C=C\CCCCCCC(C)(C)C.
What is the InChIKey of (6Z,9Z)-17,17-dimethyloctadeca-6,9-diene?
The InChIKey is MQSLDTIRGQZBFV-UTJQPWESSA-N. The full InChI is InChI=1S/C20H38/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h9-10,12-13H,5-8,11,14-19H2,1-4H3/b10-9-,13-12-.
What are the key properties of (6Z,9Z)-17,17-dimethyloctadeca-6,9-diene?
(6Z,9Z)-17,17-dimethyloctadeca-6,9-diene has a molecular weight of 278.52 g/mol, XLogP of 7.46, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z)-17,17-dimethyloctadeca-6,9-diene is sourced from PubChem (CID 140816107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).