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

C17H32O — CID 144723414

IUPACethane;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)CC)OC.CC
InChIInChI=1S/C15H26O.C2H6/c1-7-12(2)8-9-13(3)14(4)10-11-15(5)16-6;1-2/h10-13H,4-5,7-9H2,1-3,6H3;1-2H3/b11-10-;
InChIKeyUFZMUTXCLQCCQO-GMFCBQQYSA-N
MW252.44 g/mol
LogP5.75
Rot. Bonds8

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

ethane;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene (PubChem CID 144723414) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is ethane;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene.

Molecular Properties

Compound Nameethane;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene
PubChem CID144723414
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Nameethane;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)CC)OC.CC
InChIInChI=1S/C15H26O.C2H6/c1-7-12(2)8-9-13(3)14(4)10-11-15(5)16-6;1-2/h10-13H,4-5,7-9H2,1-3,6H3;1-2H3/b11-10-;
InChIKeyUFZMUTXCLQCCQO-GMFCBQQYSA-N
XLogP5.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.75
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 ethane;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene 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 ethane;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene?
The IUPAC name of ethane;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene (CID 144723414) is ethane;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene.
What is the SMILES notation for ethane;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene?
The canonical SMILES for ethane;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene is C=C(/C=C\C(=C)C(C)CCC(C)CC)OC.CC.
What is the InChIKey of ethane;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene?
The InChIKey is UFZMUTXCLQCCQO-GMFCBQQYSA-N. The full InChI is InChI=1S/C15H26O.C2H6/c1-7-12(2)8-9-13(3)14(4)10-11-15(5)16-6;1-2/h10-13H,4-5,7-9H2,1-3,6H3;1-2H3/b11-10-;.
What are the key properties of ethane;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene?
ethane;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene has a molecular weight of 252.44 g/mol, XLogP of 5.75, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene is sourced from PubChem (CID 144723414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).