1-[[(2Z,4Z)-3,4-difluoro-5-propoxyhexa-2,4-dien-2-yl]oxymethyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane

C25H40F2O2 — CID 145009712

IUPAC1-[[(2Z,4Z)-3,4-difluoro-5-propoxyhexa-2,4-dien-2-yl]oxymethyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
SMILESC/C=C/C1CCC(C2CCC(CO/C(C)=C(F)/C(F)=C(\C)OCCC)CC2)CC1
InChIInChI=1S/C25H40F2O2/c1-5-7-20-8-12-22(13-9-20)23-14-10-21(11-15-23)17-29-19(4)25(27)24(26)18(3)28-16-6-2/h5,7,20-23H,6,8-17H2,1-4H3/b7-5+,24-18-,25-19-
InChIKeyVETTZKXZOUSPNS-IMPSBMQMSA-N
MW410.59 g/mol
LogP8.02
Rot. Bonds9

About 1-[[(2Z,4Z)-3,4-difluoro-5-propoxyhexa-2,4-dien-2-yl]oxymethyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane

1-[[(2Z,4Z)-3,4-difluoro-5-propoxyhexa-2,4-dien-2-yl]oxymethyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane (PubChem CID 145009712) has the molecular formula C25H40F2O2 and a molecular weight of 410.59 g/mol. Its IUPAC name is 1-[[(2Z,4Z)-3,4-difluoro-5-propoxyhexa-2,4-dien-2-yl]oxymethyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-[[(2Z,4Z)-3,4-difluoro-5-propoxyhexa-2,4-dien-2-yl]oxymethyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
PubChem CID145009712
Molecular FormulaC25H40F2O2
Molecular Weight410.59 g/mol
Exact Mass410.30
IUPAC Name1-[[(2Z,4Z)-3,4-difluoro-5-propoxyhexa-2,4-dien-2-yl]oxymethyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
SMILESC/C=C/C1CCC(C2CCC(CO/C(C)=C(F)/C(F)=C(\C)OCCC)CC2)CC1
InChIInChI=1S/C25H40F2O2/c1-5-7-20-8-12-22(13-9-20)23-14-10-21(11-15-23)17-29-19(4)25(27)24(26)18(3)28-16-6-2/h5,7,20-23H,6,8-17H2,1-4H3/b7-5+,24-18-,25-19-
InChIKeyVETTZKXZOUSPNS-IMPSBMQMSA-N
XLogP8.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.59
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze 1-[[(2Z,4Z)-3,4-difluoro-5-propoxyhexa-2,4-dien-2-yl]oxymethyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane with MolForge

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Related Compounds

1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane
CID 158220965
[4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol
CID 54475864
1-(but-1-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)cyclohexane
CID 67898606
1-butoxy-4-[4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 130414741
1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 20594578
5-[4-[[(2Z,4Z)-3,4-difluoro-5-methoxyhexa-2,4-dien-2-yl]oxymethyl]cyclohexyl]-2-ethyloxane
CID 143889724
propyl (E)-3-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enoate
CID 67864368
1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
CID 59431504
1-(3-fluoropropyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 70907603
1-ethyl-4-[(E)-prop-1-enyl]cyclohexane
CID 59981886
1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane
CID 143761309
1-prop-1-enyl-4-propoxycyclohexane
CID 54480397

Frequently Asked Questions

What is the IUPAC name of 1-[[(2Z,4Z)-3,4-difluoro-5-propoxyhexa-2,4-dien-2-yl]oxymethyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-[[(2Z,4Z)-3,4-difluoro-5-propoxyhexa-2,4-dien-2-yl]oxymethyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane (CID 145009712) is 1-[[(2Z,4Z)-3,4-difluoro-5-propoxyhexa-2,4-dien-2-yl]oxymethyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-[[(2Z,4Z)-3,4-difluoro-5-propoxyhexa-2,4-dien-2-yl]oxymethyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-[[(2Z,4Z)-3,4-difluoro-5-propoxyhexa-2,4-dien-2-yl]oxymethyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane is C/C=C/C1CCC(C2CCC(CO/C(C)=C(F)/C(F)=C(\C)OCCC)CC2)CC1.
What is the InChIKey of 1-[[(2Z,4Z)-3,4-difluoro-5-propoxyhexa-2,4-dien-2-yl]oxymethyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The InChIKey is VETTZKXZOUSPNS-IMPSBMQMSA-N. The full InChI is InChI=1S/C25H40F2O2/c1-5-7-20-8-12-22(13-9-20)23-14-10-21(11-15-23)17-29-19(4)25(27)24(26)18(3)28-16-6-2/h5,7,20-23H,6,8-17H2,1-4H3/b7-5+,24-18-,25-19-.
What are the key properties of 1-[[(2Z,4Z)-3,4-difluoro-5-propoxyhexa-2,4-dien-2-yl]oxymethyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
1-[[(2Z,4Z)-3,4-difluoro-5-propoxyhexa-2,4-dien-2-yl]oxymethyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane has a molecular weight of 410.59 g/mol, XLogP of 8.02, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2Z,4Z)-3,4-difluoro-5-propoxyhexa-2,4-dien-2-yl]oxymethyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 145009712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).