(3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane

C18H28 — CID 143250698

IUPAC(3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane
SMILESC=C(C)/C=C\C(=C)C(=C)/C=C\C(=C)C(C)C.CC
InChIInChI=1S/C16H22.C2H6/c1-12(2)8-9-15(6)16(7)11-10-14(5)13(3)4;1-2/h8-11,13H,1,5-7H2,2-4H3;1-2H3/b9-8-,11-10-;
InChIKeyNFOZYWXSIQKYPB-ILEZSDCVSA-N
MW244.42 g/mol
LogP6.03
Rot. Bonds6

About (3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane

(3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane (PubChem CID 143250698) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is (3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane.

Molecular Properties

Compound Name(3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane
PubChem CID143250698
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name(3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane
SMILESC=C(C)/C=C\C(=C)C(=C)/C=C\C(=C)C(C)C.CC
InChIInChI=1S/C16H22.C2H6/c1-12(2)8-9-15(6)16(7)11-10-14(5)13(3)4;1-2/h8-11,13H,1,5-7H2,2-4H3;1-2H3/b9-8-,11-10-;
InChIKeyNFOZYWXSIQKYPB-ILEZSDCVSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane?
The IUPAC name of (3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane (CID 143250698) is (3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane.
What is the SMILES notation for (3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane?
The canonical SMILES for (3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane is C=C(C)/C=C\C(=C)C(=C)/C=C\C(=C)C(C)C.CC.
What is the InChIKey of (3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane?
The InChIKey is NFOZYWXSIQKYPB-ILEZSDCVSA-N. The full InChI is InChI=1S/C16H22.C2H6/c1-12(2)8-9-15(6)16(7)11-10-14(5)13(3)4;1-2/h8-11,13H,1,5-7H2,2-4H3;1-2H3/b9-8-,11-10-;.
What are the key properties of (3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane?
(3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane has a molecular weight of 244.42 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane is sourced from PubChem (CID 143250698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).