(3Z,6Z)-10-(methoxymethoxy)deca-3,6-diene

C12H22O2 — CID 134860101

IUPAC(3Z,6Z)-10-(methoxymethoxy)deca-3,6-diene
SMILESCC/C=C\C/C=C\CCCOCOC
InChIInChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12-13-2/h4-5,7-8H,3,6,9-12H2,1-2H3/b5-4-,8-7-
InChIKeyDUYBUSGGPUTDQY-UTOQUPLUSA-N
MW198.31 g/mol
LogP3.30
Rot. Bonds9

About (3Z,6Z)-10-(methoxymethoxy)deca-3,6-diene

(3Z,6Z)-10-(methoxymethoxy)deca-3,6-diene (PubChem CID 134860101) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (3Z,6Z)-10-(methoxymethoxy)deca-3,6-diene.

Molecular Properties

Compound Name(3Z,6Z)-10-(methoxymethoxy)deca-3,6-diene
PubChem CID134860101
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(3Z,6Z)-10-(methoxymethoxy)deca-3,6-diene
SMILESCC/C=C\C/C=C\CCCOCOC
InChIInChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12-13-2/h4-5,7-8H,3,6,9-12H2,1-2H3/b5-4-,8-7-
InChIKeyDUYBUSGGPUTDQY-UTOQUPLUSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-10-(methoxymethoxy)deca-3,6-diene?
The IUPAC name of (3Z,6Z)-10-(methoxymethoxy)deca-3,6-diene (CID 134860101) is (3Z,6Z)-10-(methoxymethoxy)deca-3,6-diene.
What is the SMILES notation for (3Z,6Z)-10-(methoxymethoxy)deca-3,6-diene?
The canonical SMILES for (3Z,6Z)-10-(methoxymethoxy)deca-3,6-diene is CC/C=C\C/C=C\CCCOCOC.
What is the InChIKey of (3Z,6Z)-10-(methoxymethoxy)deca-3,6-diene?
The InChIKey is DUYBUSGGPUTDQY-UTOQUPLUSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12-13-2/h4-5,7-8H,3,6,9-12H2,1-2H3/b5-4-,8-7-.
What are the key properties of (3Z,6Z)-10-(methoxymethoxy)deca-3,6-diene?
(3Z,6Z)-10-(methoxymethoxy)deca-3,6-diene has a molecular weight of 198.31 g/mol, XLogP of 3.30, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-10-(methoxymethoxy)deca-3,6-diene is sourced from PubChem (CID 134860101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).