(4Z,6Z)-7-ethenyl-6-methoxy-2,2,3,8-tetramethyl-5-propan-2-yldeca-4,6-diene

C20H36O — CID 89089065

IUPAC(4Z,6Z)-7-ethenyl-6-methoxy-2,2,3,8-tetramethyl-5-propan-2-yldeca-4,6-diene
SMILESC=C/C(=C(OC)\C(=C/C(C)C(C)(C)C)C(C)C)C(C)CC
InChIInChI=1S/C20H36O/c1-11-15(5)17(12-2)19(21-10)18(14(3)4)13-16(6)20(7,8)9/h12-16H,2,11H2,1,3-10H3/b18-13-,19-17-
InChIKeyXTEKJRVOPINCTK-MAFYCXDASA-N
MW292.51 g/mol
LogP6.38
Rot. Bonds7

About (4Z,6Z)-7-ethenyl-6-methoxy-2,2,3,8-tetramethyl-5-propan-2-yldeca-4,6-diene

(4Z,6Z)-7-ethenyl-6-methoxy-2,2,3,8-tetramethyl-5-propan-2-yldeca-4,6-diene (PubChem CID 89089065) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is (4Z,6Z)-7-ethenyl-6-methoxy-2,2,3,8-tetramethyl-5-propan-2-yldeca-4,6-diene.

Molecular Properties

Compound Name(4Z,6Z)-7-ethenyl-6-methoxy-2,2,3,8-tetramethyl-5-propan-2-yldeca-4,6-diene
PubChem CID89089065
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name(4Z,6Z)-7-ethenyl-6-methoxy-2,2,3,8-tetramethyl-5-propan-2-yldeca-4,6-diene
SMILESC=C/C(=C(OC)\C(=C/C(C)C(C)(C)C)C(C)C)C(C)CC
InChIInChI=1S/C20H36O/c1-11-15(5)17(12-2)19(21-10)18(14(3)4)13-16(6)20(7,8)9/h12-16H,2,11H2,1,3-10H3/b18-13-,19-17-
InChIKeyXTEKJRVOPINCTK-MAFYCXDASA-N
XLogP6.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.38
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 (4Z,6Z)-7-ethenyl-6-methoxy-2,2,3,8-tetramethyl-5-propan-2-yldeca-4,6-diene?
The IUPAC name of (4Z,6Z)-7-ethenyl-6-methoxy-2,2,3,8-tetramethyl-5-propan-2-yldeca-4,6-diene (CID 89089065) is (4Z,6Z)-7-ethenyl-6-methoxy-2,2,3,8-tetramethyl-5-propan-2-yldeca-4,6-diene.
What is the SMILES notation for (4Z,6Z)-7-ethenyl-6-methoxy-2,2,3,8-tetramethyl-5-propan-2-yldeca-4,6-diene?
The canonical SMILES for (4Z,6Z)-7-ethenyl-6-methoxy-2,2,3,8-tetramethyl-5-propan-2-yldeca-4,6-diene is C=C/C(=C(OC)\C(=C/C(C)C(C)(C)C)C(C)C)C(C)CC.
What is the InChIKey of (4Z,6Z)-7-ethenyl-6-methoxy-2,2,3,8-tetramethyl-5-propan-2-yldeca-4,6-diene?
The InChIKey is XTEKJRVOPINCTK-MAFYCXDASA-N. The full InChI is InChI=1S/C20H36O/c1-11-15(5)17(12-2)19(21-10)18(14(3)4)13-16(6)20(7,8)9/h12-16H,2,11H2,1,3-10H3/b18-13-,19-17-.
What are the key properties of (4Z,6Z)-7-ethenyl-6-methoxy-2,2,3,8-tetramethyl-5-propan-2-yldeca-4,6-diene?
(4Z,6Z)-7-ethenyl-6-methoxy-2,2,3,8-tetramethyl-5-propan-2-yldeca-4,6-diene has a molecular weight of 292.51 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-7-ethenyl-6-methoxy-2,2,3,8-tetramethyl-5-propan-2-yldeca-4,6-diene is sourced from PubChem (CID 89089065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).