(4Z,7Z)-12,12-dimethyltrideca-4,7-diene

C15H28 — CID 176739727

IUPAC(4Z,7Z)-12,12-dimethyltrideca-4,7-diene
SMILESCCC/C=C\C/C=C\CCCC(C)(C)C
InChIInChI=1S/C15H28/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4/h7-8,10-11H,5-6,9,12-14H2,1-4H3/b8-7-,11-10-
InChIKeyLBQWLXRVQWSBIZ-NQLNTKRDSA-N
MW208.39 g/mol
LogP5.51
Rot. Bonds7

About (4Z,7Z)-12,12-dimethyltrideca-4,7-diene

(4Z,7Z)-12,12-dimethyltrideca-4,7-diene (PubChem CID 176739727) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is (4Z,7Z)-12,12-dimethyltrideca-4,7-diene.

Molecular Properties

Compound Name(4Z,7Z)-12,12-dimethyltrideca-4,7-diene
PubChem CID176739727
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name(4Z,7Z)-12,12-dimethyltrideca-4,7-diene
SMILESCCC/C=C\C/C=C\CCCC(C)(C)C
InChIInChI=1S/C15H28/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4/h7-8,10-11H,5-6,9,12-14H2,1-4H3/b8-7-,11-10-
InChIKeyLBQWLXRVQWSBIZ-NQLNTKRDSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.51
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

(3Z,6Z,9Z,12Z,15Z,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene
CID 140672812
(E)-10,10-dimethylundec-5-ene
CID 142794628
(6Z,9Z)-17,17-dimethyloctadeca-6,9-diene
CID 140816107
(4Z,7Z,10Z,13Z)-heptadeca-4,7,10,13-tetraene
CID 10473036
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-dimethylnonadec-7-ene
CID 176613705
(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
docosa-4,7,11-triene
CID 141035180
(11Z,14Z,17Z)-2,2-dimethylhenicosa-11,14,17-trien-3-one
CID 155188256
(Z)-2,2-dimethyldodec-5-ene
CID 153455160
methane;(5Z,8Z,11Z,14Z)-nonadeca-5,8,11,14-tetraene
CID 159218033
(Z)-6,6-dimethylhept-1-en-1-amine
CID 89037206

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z)-12,12-dimethyltrideca-4,7-diene?
The IUPAC name of (4Z,7Z)-12,12-dimethyltrideca-4,7-diene (CID 176739727) is (4Z,7Z)-12,12-dimethyltrideca-4,7-diene.
What is the SMILES notation for (4Z,7Z)-12,12-dimethyltrideca-4,7-diene?
The canonical SMILES for (4Z,7Z)-12,12-dimethyltrideca-4,7-diene is CCC/C=C\C/C=C\CCCC(C)(C)C.
What is the InChIKey of (4Z,7Z)-12,12-dimethyltrideca-4,7-diene?
The InChIKey is LBQWLXRVQWSBIZ-NQLNTKRDSA-N. The full InChI is InChI=1S/C15H28/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4/h7-8,10-11H,5-6,9,12-14H2,1-4H3/b8-7-,11-10-.
What are the key properties of (4Z,7Z)-12,12-dimethyltrideca-4,7-diene?
(4Z,7Z)-12,12-dimethyltrideca-4,7-diene has a molecular weight of 208.39 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z)-12,12-dimethyltrideca-4,7-diene is sourced from PubChem (CID 176739727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).