(3Z,7E,9Z)-7-ethenyl-2-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraene

C16H20 — CID 144553948

IUPAC(3Z,7E,9Z)-7-ethenyl-2-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraene
SMILESC=C/C(=C\C=C/C)C(=C)C(=C)/C=C\C(=C)C
InChIInChI=1S/C16H20/c1-7-9-10-16(8-2)15(6)14(5)12-11-13(3)4/h7-12H,2-3,5-6H2,1,4H3/b9-7-,12-11-,16-10+
InChIKeyOMBCPAYRSAILIK-ZFERBUDISA-N
MW212.34 g/mol
LogP4.92
Rot. Bonds6

About (3Z,7E,9Z)-7-ethenyl-2-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraene

(3Z,7E,9Z)-7-ethenyl-2-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraene (PubChem CID 144553948) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is (3Z,7E,9Z)-7-ethenyl-2-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraene.

Molecular Properties

Compound Name(3Z,7E,9Z)-7-ethenyl-2-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraene
PubChem CID144553948
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name(3Z,7E,9Z)-7-ethenyl-2-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraene
SMILESC=C/C(=C\C=C/C)C(=C)C(=C)/C=C\C(=C)C
InChIInChI=1S/C16H20/c1-7-9-10-16(8-2)15(6)14(5)12-11-13(3)4/h7-12H,2-3,5-6H2,1,4H3/b9-7-,12-11-,16-10+
InChIKeyOMBCPAYRSAILIK-ZFERBUDISA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.92
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,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
CID 142141594
(2Z,4E,6E,8Z)-6-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraene
CID 143312341
(3Z,5E,6E,8Z)-6-ethenyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 142285656
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
2-methylhepta-1,3,5-triene
CID 54571604
(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273
2-methylpenta-1,3-diene;penta-1,3-diene
CID 158114840
[(3Z)-5-methoxycarbonylhexa-1,3,5-trien-2-yl] (2E,4E)-2-ethenylhexa-2,4-dienoate
CID 130242351
3-ethenyl-6-methylhepta-1,3,5-triene;(3Z,5Z)-2-methylhepta-1,3,5-triene
CID 144604694
methane;(2Z,4E,6E,8E)-5-prop-1-en-2-yldeca-2,4,6,8-tetraene
CID 163241404
(3Z,6Z)-2,6-dimethyl-5-methylideneocta-1,3,6-triene
CID 166131805
ethane;(5E)-3-ethenylhepta-1,3,5-triene
CID 143978470

Frequently Asked Questions

What is the IUPAC name of (3Z,7E,9Z)-7-ethenyl-2-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraene?
The IUPAC name of (3Z,7E,9Z)-7-ethenyl-2-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraene (CID 144553948) is (3Z,7E,9Z)-7-ethenyl-2-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraene.
What is the SMILES notation for (3Z,7E,9Z)-7-ethenyl-2-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraene?
The canonical SMILES for (3Z,7E,9Z)-7-ethenyl-2-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraene is C=C/C(=C\C=C/C)C(=C)C(=C)/C=C\C(=C)C.
What is the InChIKey of (3Z,7E,9Z)-7-ethenyl-2-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraene?
The InChIKey is OMBCPAYRSAILIK-ZFERBUDISA-N. The full InChI is InChI=1S/C16H20/c1-7-9-10-16(8-2)15(6)14(5)12-11-13(3)4/h7-12H,2-3,5-6H2,1,4H3/b9-7-,12-11-,16-10+.
What are the key properties of (3Z,7E,9Z)-7-ethenyl-2-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraene?
(3Z,7E,9Z)-7-ethenyl-2-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraene has a molecular weight of 212.34 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7E,9Z)-7-ethenyl-2-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraene is sourced from PubChem (CID 144553948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).