(5Z)-1-(difluoromethoxy)-5-methylocta-3,5-diene

C10H16F2O — CID 134365653

IUPAC(5Z)-1-(difluoromethoxy)-5-methylocta-3,5-diene
SMILESCC/C=C(/C)C=CCCOC(F)F
InChIInChI=1S/C10H16F2O/c1-3-6-9(2)7-4-5-8-13-10(11)12/h4,6-7,10H,3,5,8H2,1-2H3/b7-4?,9-6-
InChIKeyQVMQJDMWUWHJJF-RNYFEARVSA-N
MW190.23 g/mol
LogP3.53
Rot. Bonds6

About (5Z)-1-(difluoromethoxy)-5-methylocta-3,5-diene

(5Z)-1-(difluoromethoxy)-5-methylocta-3,5-diene (PubChem CID 134365653) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is (5Z)-1-(difluoromethoxy)-5-methylocta-3,5-diene.

Molecular Properties

Compound Name(5Z)-1-(difluoromethoxy)-5-methylocta-3,5-diene
PubChem CID134365653
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name(5Z)-1-(difluoromethoxy)-5-methylocta-3,5-diene
SMILESCC/C=C(/C)C=CCCOC(F)F
InChIInChI=1S/C10H16F2O/c1-3-6-9(2)7-4-5-8-13-10(11)12/h4,6-7,10H,3,5,8H2,1-2H3/b7-4?,9-6-
InChIKeyQVMQJDMWUWHJJF-RNYFEARVSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-1-(difluoromethoxy)-5-methylocta-3,5-diene?
The IUPAC name of (5Z)-1-(difluoromethoxy)-5-methylocta-3,5-diene (CID 134365653) is (5Z)-1-(difluoromethoxy)-5-methylocta-3,5-diene.
What is the SMILES notation for (5Z)-1-(difluoromethoxy)-5-methylocta-3,5-diene?
The canonical SMILES for (5Z)-1-(difluoromethoxy)-5-methylocta-3,5-diene is CC/C=C(/C)C=CCCOC(F)F.
What is the InChIKey of (5Z)-1-(difluoromethoxy)-5-methylocta-3,5-diene?
The InChIKey is QVMQJDMWUWHJJF-RNYFEARVSA-N. The full InChI is InChI=1S/C10H16F2O/c1-3-6-9(2)7-4-5-8-13-10(11)12/h4,6-7,10H,3,5,8H2,1-2H3/b7-4?,9-6-.
What are the key properties of (5Z)-1-(difluoromethoxy)-5-methylocta-3,5-diene?
(5Z)-1-(difluoromethoxy)-5-methylocta-3,5-diene has a molecular weight of 190.23 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-(difluoromethoxy)-5-methylocta-3,5-diene is sourced from PubChem (CID 134365653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).