(3Z,5Z)-3-methoxy-8,8-dimethyl-7-methylidenenona-3,5-diene

C13H22O — CID 126690397

IUPAC(3Z,5Z)-3-methoxy-8,8-dimethyl-7-methylidenenona-3,5-diene
SMILESC=C(/C=C\C=C(\CC)OC)C(C)(C)C
InChIInChI=1S/C13H22O/c1-7-12(14-6)10-8-9-11(2)13(3,4)5/h8-10H,2,7H2,1,3-6H3/b9-8-,12-10-
InChIKeyLJBVCGKHLRZYSX-DMGFJBLZSA-N
MW194.32 g/mol
LogP4.09
Rot. Bonds4

About (3Z,5Z)-3-methoxy-8,8-dimethyl-7-methylidenenona-3,5-diene

(3Z,5Z)-3-methoxy-8,8-dimethyl-7-methylidenenona-3,5-diene (PubChem CID 126690397) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (3Z,5Z)-3-methoxy-8,8-dimethyl-7-methylidenenona-3,5-diene.

Molecular Properties

Compound Name(3Z,5Z)-3-methoxy-8,8-dimethyl-7-methylidenenona-3,5-diene
PubChem CID126690397
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(3Z,5Z)-3-methoxy-8,8-dimethyl-7-methylidenenona-3,5-diene
SMILESC=C(/C=C\C=C(\CC)OC)C(C)(C)C
InChIInChI=1S/C13H22O/c1-7-12(14-6)10-8-9-11(2)13(3,4)5/h8-10H,2,7H2,1,3-6H3/b9-8-,12-10-
InChIKeyLJBVCGKHLRZYSX-DMGFJBLZSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.09
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'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-methoxy-8,8-dimethyl-7-methylidenenona-3,5-diene?
The IUPAC name of (3Z,5Z)-3-methoxy-8,8-dimethyl-7-methylidenenona-3,5-diene (CID 126690397) is (3Z,5Z)-3-methoxy-8,8-dimethyl-7-methylidenenona-3,5-diene.
What is the SMILES notation for (3Z,5Z)-3-methoxy-8,8-dimethyl-7-methylidenenona-3,5-diene?
The canonical SMILES for (3Z,5Z)-3-methoxy-8,8-dimethyl-7-methylidenenona-3,5-diene is C=C(/C=C\C=C(\CC)OC)C(C)(C)C.
What is the InChIKey of (3Z,5Z)-3-methoxy-8,8-dimethyl-7-methylidenenona-3,5-diene?
The InChIKey is LJBVCGKHLRZYSX-DMGFJBLZSA-N. The full InChI is InChI=1S/C13H22O/c1-7-12(14-6)10-8-9-11(2)13(3,4)5/h8-10H,2,7H2,1,3-6H3/b9-8-,12-10-.
What are the key properties of (3Z,5Z)-3-methoxy-8,8-dimethyl-7-methylidenenona-3,5-diene?
(3Z,5Z)-3-methoxy-8,8-dimethyl-7-methylidenenona-3,5-diene has a molecular weight of 194.32 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-methoxy-8,8-dimethyl-7-methylidenenona-3,5-diene is sourced from PubChem (CID 126690397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).