(3Z)-2-ethoxy-3,4-difluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundeca-1,3-diene

C20H34F2O2 — CID 144794301

IUPAC(3Z)-2-ethoxy-3,4-difluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundeca-1,3-diene
SMILESC=C(OCC)/C(F)=C(/F)C(=C)C(C)CCC(C)C(C)COC(C)C
InChIInChI=1S/C20H34F2O2/c1-9-23-18(8)20(22)19(21)17(7)15(5)11-10-14(4)16(6)12-24-13(2)3/h13-16H,7-12H2,1-6H3/b20-19-
InChIKeyPKFGXDSIAHFTSC-VXPUYCOJSA-N
MW344.49 g/mol
LogP6.36
Rot. Bonds12

About (3Z)-2-ethoxy-3,4-difluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundeca-1,3-diene

(3Z)-2-ethoxy-3,4-difluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundeca-1,3-diene (PubChem CID 144794301) has the molecular formula C20H34F2O2 and a molecular weight of 344.49 g/mol. Its IUPAC name is (3Z)-2-ethoxy-3,4-difluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundeca-1,3-diene.

Molecular Properties

Compound Name(3Z)-2-ethoxy-3,4-difluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundeca-1,3-diene
PubChem CID144794301
Molecular FormulaC20H34F2O2
Molecular Weight344.49 g/mol
Exact Mass344.25
IUPAC Name(3Z)-2-ethoxy-3,4-difluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundeca-1,3-diene
SMILESC=C(OCC)/C(F)=C(/F)C(=C)C(C)CCC(C)C(C)COC(C)C
InChIInChI=1S/C20H34F2O2/c1-9-23-18(8)20(22)19(21)17(7)15(5)11-10-14(4)16(6)12-24-13(2)3/h13-16H,7-12H2,1-6H3/b20-19-
InChIKeyPKFGXDSIAHFTSC-VXPUYCOJSA-N
XLogP6.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.49
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3Z)-2-ethoxy-3,4-difluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundeca-1,3-diene?
The IUPAC name of (3Z)-2-ethoxy-3,4-difluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundeca-1,3-diene (CID 144794301) is (3Z)-2-ethoxy-3,4-difluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundeca-1,3-diene.
What is the SMILES notation for (3Z)-2-ethoxy-3,4-difluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundeca-1,3-diene?
The canonical SMILES for (3Z)-2-ethoxy-3,4-difluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundeca-1,3-diene is C=C(OCC)/C(F)=C(/F)C(=C)C(C)CCC(C)C(C)COC(C)C.
What is the InChIKey of (3Z)-2-ethoxy-3,4-difluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundeca-1,3-diene?
The InChIKey is PKFGXDSIAHFTSC-VXPUYCOJSA-N. The full InChI is InChI=1S/C20H34F2O2/c1-9-23-18(8)20(22)19(21)17(7)15(5)11-10-14(4)16(6)12-24-13(2)3/h13-16H,7-12H2,1-6H3/b20-19-.
What are the key properties of (3Z)-2-ethoxy-3,4-difluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundeca-1,3-diene?
(3Z)-2-ethoxy-3,4-difluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundeca-1,3-diene has a molecular weight of 344.49 g/mol, XLogP of 6.36, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-ethoxy-3,4-difluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundeca-1,3-diene is sourced from PubChem (CID 144794301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).