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

C13H22 — CID 167471627

IUPAC(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene
SMILESC=C/C=C(\C=C(/C)C(C)C)C(C)C
InChIInChI=1S/C13H22/c1-7-8-13(11(4)5)9-12(6)10(2)3/h7-11H,1H2,2-6H3/b12-9+,13-8+
InChIKeyHCFIIBUIVPOMFI-GHEQENTPSA-N
MW178.32 g/mol
LogP4.36
Rot. Bonds4

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

(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene (PubChem CID 167471627) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is (3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene
PubChem CID167471627
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene
SMILESC=C/C=C(\C=C(/C)C(C)C)C(C)C
InChIInChI=1S/C13H22/c1-7-8-13(11(4)5)9-12(6)10(2)3/h7-11H,1H2,2-6H3/b12-9+,13-8+
InChIKeyHCFIIBUIVPOMFI-GHEQENTPSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.36
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;ethane
CID 167471626
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
(3Z,5E)-3,4,6,7-tetramethylocta-1,3,5-triene
CID 178040124
4-propan-2-yloxypenta-1,3-diene
CID 123824588
(2S)-3-methylhexa-3,5-dien-2-ol
CID 91237293
(3E,5E)-2,3,6,7-tetramethylocta-3,5-diene
CID 143858492
ethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine
CID 178156046
(3E,6E)-4,5-dimethylocta-1,3,6-triene
CID 12533133
(2R,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 142221873
2-methyl-3-propan-2-ylhexa-1,3,5-triene
CID 123577070
(2S,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 126549063

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene?
The IUPAC name of (3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene (CID 167471627) is (3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene is C=C/C=C(\C=C(/C)C(C)C)C(C)C.
What is the InChIKey of (3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene?
The InChIKey is HCFIIBUIVPOMFI-GHEQENTPSA-N. The full InChI is InChI=1S/C13H22/c1-7-8-13(11(4)5)9-12(6)10(2)3/h7-11H,1H2,2-6H3/b12-9+,13-8+.
What are the key properties of (3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene?
(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene has a molecular weight of 178.32 g/mol, XLogP of 4.36, 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 is sourced from PubChem (CID 167471627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).