6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene

C13H18 — CID 123254691

IUPAC6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene
SMILESC=CC=CC(C(=C)C)=C(C)C=CC
InChIInChI=1S/C13H18/c1-6-8-10-13(11(3)4)12(5)9-7-2/h6-10H,1,3H2,2,4-5H3
InChIKeyYZSUBFBRTJZYID-UHFFFAOYSA-N
MW174.29 g/mol
LogP4.20
Rot. Bonds4

About 6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene

6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene (PubChem CID 123254691) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene.

Molecular Properties

Compound Name6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene
PubChem CID123254691
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene
SMILESC=CC=CC(C(=C)C)=C(C)C=CC
InChIInChI=1S/C13H18/c1-6-8-10-13(11(3)4)12(5)9-7-2/h6-10H,1,3H2,2,4-5H3
InChIKeyYZSUBFBRTJZYID-UHFFFAOYSA-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,7Z)-6-propan-2-yl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 145184393
2-methylpenta-1,3-diene;penta-1,3-diene
CID 158114840
(3E)-2,3,4-trimethylhepta-1,3,5-triene
CID 161260818
6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301
(4Z)-2-methyl-3-propan-2-ylidenehexa-1,4-diene
CID 142293143
(3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene
CID 142093033
ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143006430
(3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene
CID 166107909
(2Z,4E)-7-fluoro-5,7-dimethyl-6-methylidene-4-prop-1-en-2-ylocta-2,4-diene
CID 166995937
(2Z,4E,6E,8Z)-6-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraene
CID 143312341
ethane;ethene;(3Z,5Z,7Z)-5-ethenyl-4,6-dimethylnona-1,3,5,7-tetraene
CID 143865216
(3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine
CID 155176361

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene?
The IUPAC name of 6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene (CID 123254691) is 6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene.
What is the SMILES notation for 6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene?
The canonical SMILES for 6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene is C=CC=CC(C(=C)C)=C(C)C=CC.
What is the InChIKey of 6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene?
The InChIKey is YZSUBFBRTJZYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-6-8-10-13(11(3)4)12(5)9-7-2/h6-10H,1,3H2,2,4-5H3.
What are the key properties of 6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene?
6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-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 6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene is sourced from PubChem (CID 123254691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).