(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene

C17H24O — CID 145122159

IUPAC(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
SMILESC=C(C)/C=C(/COC)C(=C)C(=C)/C=C\C(=C)CC
InChIInChI=1S/C17H24O/c1-8-14(4)9-10-15(5)16(6)17(12-18-7)11-13(2)3/h9-11H,2,4-6,8,12H2,1,3,7H3/b10-9-,17-11-
InChIKeyKQXATJWNNPPFHQ-XJPAVUHSSA-N
MW244.38 g/mol
LogP4.77
Rot. Bonds8

About (3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene

(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene (PubChem CID 145122159) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene.

Molecular Properties

Compound Name(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
PubChem CID145122159
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
SMILESC=C(C)/C=C(/COC)C(=C)C(=C)/C=C\C(=C)CC
InChIInChI=1S/C17H24O/c1-8-14(4)9-10-15(5)16(6)17(12-18-7)11-13(2)3/h9-11H,2,4-6,8,12H2,1,3,7H3/b10-9-,17-11-
InChIKeyKQXATJWNNPPFHQ-XJPAVUHSSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene?
The IUPAC name of (3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene (CID 145122159) is (3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene.
What is the SMILES notation for (3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene?
The canonical SMILES for (3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene is C=C(C)/C=C(/COC)C(=C)C(=C)/C=C\C(=C)CC.
What is the InChIKey of (3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene?
The InChIKey is KQXATJWNNPPFHQ-XJPAVUHSSA-N. The full InChI is InChI=1S/C17H24O/c1-8-14(4)9-10-15(5)16(6)17(12-18-7)11-13(2)3/h9-11H,2,4-6,8,12H2,1,3,7H3/b10-9-,17-11-.
What are the key properties of (3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene?
(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene has a molecular weight of 244.38 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene is sourced from PubChem (CID 145122159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).