(3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene

C16H22 — CID 166107909

IUPAC(3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene
SMILESC=C/C(C)=C(/C=C\C)C(\C=C)=C(C)/C=C\C
InChIInChI=1S/C16H22/c1-7-11-14(6)15(10-4)16(12-8-2)13(5)9-3/h7-12H,3-4H2,1-2,5-6H3/b11-7-,12-8-,15-14-,16-13-
InChIKeyLDUJNGGONXOSLD-TVUFUVBOSA-N
MW214.35 g/mol
LogP5.14
Rot. Bonds5

About (3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene

(3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene (PubChem CID 166107909) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is (3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene
PubChem CID166107909
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name(3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene
SMILESC=C/C(C)=C(/C=C\C)C(\C=C)=C(C)/C=C\C
InChIInChI=1S/C16H22/c1-7-11-14(6)15(10-4)16(12-8-2)13(5)9-3/h7-12H,3-4H2,1-2,5-6H3/b11-7-,12-8-,15-14-,16-13-
InChIKeyLDUJNGGONXOSLD-TVUFUVBOSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.35
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene with MolForge

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Related Compounds

(3E,5Z)-3-methyl-4-(3-methylbuta-1,3-dien-2-yl)hepta-1,3,5-triene
CID 143168001
(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
(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene
CID 143367842
(3E,5Z)-4-bromo-3-methylhepta-1,3,5-triene
CID 144800259
(3E,5Z)-3-methylhepta-1,3,5-trien-4-ol
CID 89289034
(4Z)-N,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-imine;ethane
CID 143773644
6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 123254691
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
CID 139436221
6-but-3-en-2-ylidene-7-prop-1-enyldeca-2,4,7-triene
CID 151199646
(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 (3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene?
The IUPAC name of (3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene (CID 166107909) is (3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene.
What is the SMILES notation for (3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene?
The canonical SMILES for (3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene is C=C/C(C)=C(/C=C\C)C(\C=C)=C(C)/C=C\C.
What is the InChIKey of (3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene?
The InChIKey is LDUJNGGONXOSLD-TVUFUVBOSA-N. The full InChI is InChI=1S/C16H22/c1-7-11-14(6)15(10-4)16(12-8-2)13(5)9-3/h7-12H,3-4H2,1-2,5-6H3/b11-7-,12-8-,15-14-,16-13-.
What are the key properties of (3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene?
(3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene has a molecular weight of 214.35 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene is sourced from PubChem (CID 166107909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).