(3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene

C13H18 — CID 145164686

IUPAC(3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene
SMILESC=C/C=C\C(=C(C)C)/C(C)=C/C=C
InChIInChI=1S/C13H18/c1-6-8-10-13(11(3)4)12(5)9-7-2/h6-10H,1-2H2,3-5H3/b10-8-,12-9-
InChIKeyHUTPYCUIPHAFEF-GGXBSVTOSA-N
MW174.29 g/mol
LogP4.20
Rot. Bonds4

About (3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene

(3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene (PubChem CID 145164686) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is (3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene.

Molecular Properties

Compound Name(3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene
PubChem CID145164686
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name(3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene
SMILESC=C/C=C\C(=C(C)C)/C(C)=C/C=C
InChIInChI=1S/C13H18/c1-6-8-10-13(11(3)4)12(5)9-7-2/h6-10H,1-2H2,3-5H3/b10-8-,12-9-
InChIKeyHUTPYCUIPHAFEF-GGXBSVTOSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.20
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,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene
CID 174021215
ethane;ethene;(3Z,5Z,7Z)-5-ethenyl-4,6-dimethylnona-1,3,5,7-tetraene
CID 143865216
(3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene
CID 155717462
(3Z)-5-ethyl-6-methylhepta-1,3,5-triene
CID 143033929
(3Z,8Z,10Z)-8-ethenyl-6-methylidene-5-propan-2-ylidenedodeca-1,3,8,10-tetraene
CID 177318715
ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene
CID 145268478
dimethyl-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]borane
CID 174032473
(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377
(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene
CID 142047079
(2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid
CID 143334780
(3E,5Z)-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]sulfanylocta-1,3,5,7-tetraene
CID 170360355
6-bromohepta-1,3,5-triene
CID 123654102

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene?
The IUPAC name of (3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene (CID 145164686) is (3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene.
What is the SMILES notation for (3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene?
The canonical SMILES for (3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene is C=C/C=C\C(=C(C)C)/C(C)=C/C=C.
What is the InChIKey of (3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene?
The InChIKey is HUTPYCUIPHAFEF-GGXBSVTOSA-N. The full InChI is InChI=1S/C13H18/c1-6-8-10-13(11(3)4)12(5)9-7-2/h6-10H,1-2H2,3-5H3/b10-8-,12-9-.
What are the key properties of (3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene?
(3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene has a molecular weight of 174.29 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene is sourced from PubChem (CID 145164686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).