(3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane

C19H32 — CID 143933748

IUPAC(3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane
SMILESC=C(C)/C=C\C(=C)C(=C)/C=C/C(C)=C\C.CC.CC
InChIInChI=1S/C15H20.2C2H6/c1-7-13(4)9-11-15(6)14(5)10-8-12(2)3;2*1-2/h7-11H,2,5-6H2,1,3-4H3;2*1-2H3/b10-8-,11-9-,13-7-;;
InChIKeyRXJZVZARTPRSTA-OFZVYMQRSA-N
MW260.46 g/mol
LogP6.81
Rot. Bonds5

About (3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane

(3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane (PubChem CID 143933748) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is (3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane.

Molecular Properties

Compound Name(3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane
PubChem CID143933748
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name(3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane
SMILESC=C(C)/C=C\C(=C)C(=C)/C=C/C(C)=C\C.CC.CC
InChIInChI=1S/C15H20.2C2H6/c1-7-13(4)9-11-15(6)14(5)10-8-12(2)3;2*1-2/h7-11H,2,5-6H2,1,3-4H3;2*1-2H3/b10-8-,11-9-,13-7-;;
InChIKeyRXJZVZARTPRSTA-OFZVYMQRSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.81
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

2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
(3Z,6Z)-2,6-dimethyl-5-methylideneocta-1,3,6-triene
CID 166131805
(3Z,5E)-5-bromo-2-methylhepta-1,3,5-triene;ethane
CID 144637545
(3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid
CID 142042516
(3Z,7Z)-2-fluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143485598
ethane;(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-amine
CID 143072241
(3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane
CID 143250698
(3E,5Z)-2,5-dimethylhepta-1,3,5-triene;3,3-dimethylhexane;ethane
CID 171811012
(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane?
The IUPAC name of (3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane (CID 143933748) is (3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane.
What is the SMILES notation for (3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane?
The canonical SMILES for (3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane is C=C(C)/C=C\C(=C)C(=C)/C=C/C(C)=C\C.CC.CC.
What is the InChIKey of (3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane?
The InChIKey is RXJZVZARTPRSTA-OFZVYMQRSA-N. The full InChI is InChI=1S/C15H20.2C2H6/c1-7-13(4)9-11-15(6)14(5)10-8-12(2)3;2*1-2/h7-11H,2,5-6H2,1,3-4H3;2*1-2H3/b10-8-,11-9-,13-7-;;.
What are the key properties of (3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane?
(3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane has a molecular weight of 260.46 g/mol, XLogP of 6.81, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane is sourced from PubChem (CID 143933748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).