(3E)-4-(difluoromethoxy)penta-1,3-diene;(Z)-hex-3-ene;2-methylbutane

C17H32F2O — CID 143345673

IUPAC(3E)-4-(difluoromethoxy)penta-1,3-diene;(Z)-hex-3-ene;2-methylbutane
SMILESC=C/C=C(\C)OC(F)F.CC/C=C\CC.CCC(C)C
InChIInChI=1S/C6H8F2O.C6H12.C5H12/c1-3-4-5(2)9-6(7)8;1-3-5-6-4-2;1-4-5(2)3/h3-4,6H,1H2,2H3;5-6H,3-4H2,1-2H3;5H,4H2,1-3H3/b5-4+;6-5-;
InChIKeyUYVAZXMSJQXTFP-ZHQUAHTOSA-N
MW290.44 g/mol
LogP6.73
Rot. Bonds6

About (3E)-4-(difluoromethoxy)penta-1,3-diene;(Z)-hex-3-ene;2-methylbutane

(3E)-4-(difluoromethoxy)penta-1,3-diene;(Z)-hex-3-ene;2-methylbutane (PubChem CID 143345673) has the molecular formula C17H32F2O and a molecular weight of 290.44 g/mol. Its IUPAC name is (3E)-4-(difluoromethoxy)penta-1,3-diene;(Z)-hex-3-ene;2-methylbutane.

Molecular Properties

Compound Name(3E)-4-(difluoromethoxy)penta-1,3-diene;(Z)-hex-3-ene;2-methylbutane
PubChem CID143345673
Molecular FormulaC17H32F2O
Molecular Weight290.44 g/mol
Exact Mass290.24
IUPAC Name(3E)-4-(difluoromethoxy)penta-1,3-diene;(Z)-hex-3-ene;2-methylbutane
SMILESC=C/C=C(\C)OC(F)F.CC/C=C\CC.CCC(C)C
InChIInChI=1S/C6H8F2O.C6H12.C5H12/c1-3-4-5(2)9-6(7)8;1-3-5-6-4-2;1-4-5(2)3/h3-4,6H,1H2,2H3;5-6H,3-4H2,1-2H3;5H,4H2,1-3H3/b5-4+;6-5-;
InChIKeyUYVAZXMSJQXTFP-ZHQUAHTOSA-N
XLogP6.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.44
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-propan-2-yloxypenta-1,3-diene
CID 123824588
(2S)-3-methylhexa-3,5-dien-2-ol
CID 91237293
(3E,5S)-4-methyl-5-propan-2-ylsulfanylhepta-1,3-diene
CID 58597093
(3Z,5E)-5-(difluoromethoxy)-8-methylnona-3,5-diene
CID 163506175
2-methylbutane;bis(2-methylbut-2-ene)
CID 162288148
but-1-ene;2-methylbutane
CID 142013560
butane;(3E)-4-methoxypenta-1,3-diene
CID 142879851
(3Z)-4-methylocta-1,3,5-triene
CID 142968936
(3E,6E)-4,5-dimethylocta-1,3,6-triene
CID 12533133
methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene
CID 143782446
ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene
CID 153392422
(2E)-2-methylpenta-2,4-diene-1,1-diol
CID 142275116

Frequently Asked Questions

What is the IUPAC name of (3E)-4-(difluoromethoxy)penta-1,3-diene;(Z)-hex-3-ene;2-methylbutane?
The IUPAC name of (3E)-4-(difluoromethoxy)penta-1,3-diene;(Z)-hex-3-ene;2-methylbutane (CID 143345673) is (3E)-4-(difluoromethoxy)penta-1,3-diene;(Z)-hex-3-ene;2-methylbutane.
What is the SMILES notation for (3E)-4-(difluoromethoxy)penta-1,3-diene;(Z)-hex-3-ene;2-methylbutane?
The canonical SMILES for (3E)-4-(difluoromethoxy)penta-1,3-diene;(Z)-hex-3-ene;2-methylbutane is C=C/C=C(\C)OC(F)F.CC/C=C\CC.CCC(C)C.
What is the InChIKey of (3E)-4-(difluoromethoxy)penta-1,3-diene;(Z)-hex-3-ene;2-methylbutane?
The InChIKey is UYVAZXMSJQXTFP-ZHQUAHTOSA-N. The full InChI is InChI=1S/C6H8F2O.C6H12.C5H12/c1-3-4-5(2)9-6(7)8;1-3-5-6-4-2;1-4-5(2)3/h3-4,6H,1H2,2H3;5-6H,3-4H2,1-2H3;5H,4H2,1-3H3/b5-4+;6-5-;.
What are the key properties of (3E)-4-(difluoromethoxy)penta-1,3-diene;(Z)-hex-3-ene;2-methylbutane?
(3E)-4-(difluoromethoxy)penta-1,3-diene;(Z)-hex-3-ene;2-methylbutane has a molecular weight of 290.44 g/mol, XLogP of 6.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-(difluoromethoxy)penta-1,3-diene;(Z)-hex-3-ene;2-methylbutane is sourced from PubChem (CID 143345673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).