(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane

C18H34O — CID 144723412

IUPAC(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane
SMILESC=C(/C=C\C(=C)C(C)CCC(C)CC)OC.CCC
InChIInChI=1S/C15H26O.C3H8/c1-7-12(2)8-9-13(3)14(4)10-11-15(5)16-6;1-3-2/h10-13H,4-5,7-9H2,1-3,6H3;3H2,1-2H3/b11-10-;
InChIKeyGNBQQTQIEHLMST-GMFCBQQYSA-N
MW266.47 g/mol
LogP6.14
Rot. Bonds8

About (3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane

(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane (PubChem CID 144723412) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is (3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane.

Molecular Properties

Compound Name(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane
PubChem CID144723412
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane
SMILESC=C(/C=C\C(=C)C(C)CCC(C)CC)OC.CCC
InChIInChI=1S/C15H26O.C3H8/c1-7-12(2)8-9-13(3)14(4)10-11-15(5)16-6;1-3-2/h10-13H,4-5,7-9H2,1-3,6H3;3H2,1-2H3/b11-10-;
InChIKeyGNBQQTQIEHLMST-GMFCBQQYSA-N
XLogP6.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane?
The IUPAC name of (3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane (CID 144723412) is (3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane.
What is the SMILES notation for (3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane?
The canonical SMILES for (3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane is C=C(/C=C\C(=C)C(C)CCC(C)CC)OC.CCC.
What is the InChIKey of (3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane?
The InChIKey is GNBQQTQIEHLMST-GMFCBQQYSA-N. The full InChI is InChI=1S/C15H26O.C3H8/c1-7-12(2)8-9-13(3)14(4)10-11-15(5)16-6;1-3-2/h10-13H,4-5,7-9H2,1-3,6H3;3H2,1-2H3/b11-10-;.
What are the key properties of (3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane?
(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane has a molecular weight of 266.47 g/mol, XLogP of 6.14, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane is sourced from PubChem (CID 144723412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).