(Z)-1-(difluoromethoxy)-3-methyloct-4-ene

C10H18F2O — CID 155183687

IUPAC(Z)-1-(difluoromethoxy)-3-methyloct-4-ene
SMILESCCC/C=C\C(C)CCOC(F)F
InChIInChI=1S/C10H18F2O/c1-3-4-5-6-9(2)7-8-13-10(11)12/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5-
InChIKeyHTZLKUZCSFZZEY-WAYWQWQTSA-N
MW192.25 g/mol
LogP3.61
Rot. Bonds7

About (Z)-1-(difluoromethoxy)-3-methyloct-4-ene

(Z)-1-(difluoromethoxy)-3-methyloct-4-ene (PubChem CID 155183687) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is (Z)-1-(difluoromethoxy)-3-methyloct-4-ene.

Molecular Properties

Compound Name(Z)-1-(difluoromethoxy)-3-methyloct-4-ene
PubChem CID155183687
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name(Z)-1-(difluoromethoxy)-3-methyloct-4-ene
SMILESCCC/C=C\C(C)CCOC(F)F
InChIInChI=1S/C10H18F2O/c1-3-4-5-6-9(2)7-8-13-10(11)12/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5-
InChIKeyHTZLKUZCSFZZEY-WAYWQWQTSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(difluoromethoxy)-3-methyloct-4-ene?
The IUPAC name of (Z)-1-(difluoromethoxy)-3-methyloct-4-ene (CID 155183687) is (Z)-1-(difluoromethoxy)-3-methyloct-4-ene.
What is the SMILES notation for (Z)-1-(difluoromethoxy)-3-methyloct-4-ene?
The canonical SMILES for (Z)-1-(difluoromethoxy)-3-methyloct-4-ene is CCC/C=C\C(C)CCOC(F)F.
What is the InChIKey of (Z)-1-(difluoromethoxy)-3-methyloct-4-ene?
The InChIKey is HTZLKUZCSFZZEY-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H18F2O/c1-3-4-5-6-9(2)7-8-13-10(11)12/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5-.
What are the key properties of (Z)-1-(difluoromethoxy)-3-methyloct-4-ene?
(Z)-1-(difluoromethoxy)-3-methyloct-4-ene has a molecular weight of 192.25 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(difluoromethoxy)-3-methyloct-4-ene is sourced from PubChem (CID 155183687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).