(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane

C15H28 — CID 167471626

IUPAC(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane
SMILESC=C/C=C(\C=C(/C)C(C)C)C(C)C.CC
InChIInChI=1S/C13H22.C2H6/c1-7-8-13(11(4)5)9-12(6)10(2)3;1-2/h7-11H,1H2,2-6H3;1-2H3/b12-9+,13-8+;
InChIKeyISRJMKGSVXMLCV-IWXBLXEXSA-N
MW208.39 g/mol
LogP5.38
Rot. Bonds4

About (3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane

(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane (PubChem CID 167471626) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is (3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane.

Molecular Properties

Compound Name(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane
PubChem CID167471626
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane
SMILESC=C/C=C(\C=C(/C)C(C)C)C(C)C.CC
InChIInChI=1S/C13H22.C2H6/c1-7-8-13(11(4)5)9-12(6)10(2)3;1-2/h7-11H,1H2,2-6H3;1-2H3/b12-9+,13-8+;
InChIKeyISRJMKGSVXMLCV-IWXBLXEXSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene
CID 167471627
ethane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 142182204
ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 162518558
ethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine
CID 178156046
(3Z,5E)-3,4,6,7-tetramethylocta-1,3,5-triene
CID 178040124
4-propan-2-yloxypenta-1,3-diene
CID 123824588
ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 142253668
(2S)-3-methylhexa-3,5-dien-2-ol
CID 91237293
(3E,5E)-2,3,6,7-tetramethylocta-3,5-diene
CID 143858492
(3E,6E)-4,5-dimethylocta-1,3,6-triene
CID 12533133
ethane;(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 143713384
(Z)-3,4-dimethylpent-2-ene;ethane
CID 143977238

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane?
The IUPAC name of (3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane (CID 167471626) is (3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane.
What is the SMILES notation for (3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane?
The canonical SMILES for (3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane is C=C/C=C(\C=C(/C)C(C)C)C(C)C.CC.
What is the InChIKey of (3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane?
The InChIKey is ISRJMKGSVXMLCV-IWXBLXEXSA-N. The full InChI is InChI=1S/C13H22.C2H6/c1-7-8-13(11(4)5)9-12(6)10(2)3;1-2/h7-11H,1H2,2-6H3;1-2H3/b12-9+,13-8+;.
What are the key properties of (3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane?
(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane has a molecular weight of 208.39 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane is sourced from PubChem (CID 167471626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).