(3Z,5E)-5-(difluoromethoxy)-8-methylnona-3,5-diene

C11H18F2O — CID 163506175

IUPAC(3Z,5E)-5-(difluoromethoxy)-8-methylnona-3,5-diene
SMILESCC/C=C\C(=C/CC(C)C)OC(F)F
InChIInChI=1S/C11H18F2O/c1-4-5-6-10(14-11(12)13)8-7-9(2)3/h5-6,8-9,11H,4,7H2,1-3H3/b6-5-,10-8+
InChIKeyCYTJTDMFRDCAPP-UGXDAERVSA-N
MW204.26 g/mol
LogP4.12
Rot. Bonds6

About (3Z,5E)-5-(difluoromethoxy)-8-methylnona-3,5-diene

(3Z,5E)-5-(difluoromethoxy)-8-methylnona-3,5-diene (PubChem CID 163506175) has the molecular formula C11H18F2O and a molecular weight of 204.26 g/mol. Its IUPAC name is (3Z,5E)-5-(difluoromethoxy)-8-methylnona-3,5-diene.

Molecular Properties

Compound Name(3Z,5E)-5-(difluoromethoxy)-8-methylnona-3,5-diene
PubChem CID163506175
Molecular FormulaC11H18F2O
Molecular Weight204.26 g/mol
Exact Mass204.13
IUPAC Name(3Z,5E)-5-(difluoromethoxy)-8-methylnona-3,5-diene
SMILESCC/C=C\C(=C/CC(C)C)OC(F)F
InChIInChI=1S/C11H18F2O/c1-4-5-6-10(14-11(12)13)8-7-9(2)3/h5-6,8-9,11H,4,7H2,1-3H3/b6-5-,10-8+
InChIKeyCYTJTDMFRDCAPP-UGXDAERVSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 54.12
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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Related Compounds

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5,6,9-trimethyldeca-3,6-diene
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(2E)-3-fluorohepta-2,4-diene
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(4Z)-3-(dimethoxymethyl)hepta-2,4-diene
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10-methylundeca-3,7-diene
CID 91333064
(Z,2E)-2-(2-fluoropropylidene)hex-3-en-1-amine
CID 129209760
methyl [(3Z,5E)-nona-3,5-dien-5-yl] carbonate
CID 143778595
(Z)-N,2-dimethylhept-4-en-3-imine;ethane
CID 156795544
methyl N-[(E)-pent-2-enoyl]carbamate
CID 11615207
(Z)-3-[(E)-but-1-enoxy]-4-methylpent-2-ene
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(E)-N-hydroxypent-2-enamide
CID 87376694

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-(difluoromethoxy)-8-methylnona-3,5-diene?
The IUPAC name of (3Z,5E)-5-(difluoromethoxy)-8-methylnona-3,5-diene (CID 163506175) is (3Z,5E)-5-(difluoromethoxy)-8-methylnona-3,5-diene.
What is the SMILES notation for (3Z,5E)-5-(difluoromethoxy)-8-methylnona-3,5-diene?
The canonical SMILES for (3Z,5E)-5-(difluoromethoxy)-8-methylnona-3,5-diene is CC/C=C\C(=C/CC(C)C)OC(F)F.
What is the InChIKey of (3Z,5E)-5-(difluoromethoxy)-8-methylnona-3,5-diene?
The InChIKey is CYTJTDMFRDCAPP-UGXDAERVSA-N. The full InChI is InChI=1S/C11H18F2O/c1-4-5-6-10(14-11(12)13)8-7-9(2)3/h5-6,8-9,11H,4,7H2,1-3H3/b6-5-,10-8+.
What are the key properties of (3Z,5E)-5-(difluoromethoxy)-8-methylnona-3,5-diene?
(3Z,5E)-5-(difluoromethoxy)-8-methylnona-3,5-diene has a molecular weight of 204.26 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-(difluoromethoxy)-8-methylnona-3,5-diene is sourced from PubChem (CID 163506175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).