(6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene

C13H20F2O — CID 70355407

IUPAC(6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene
SMILESCC/C=C(\C)OCC1C(F)CC=C(F)[C@H]1C
InChIInChI=1S/C13H20F2O/c1-4-5-9(2)16-8-11-10(3)12(14)6-7-13(11)15/h5-6,10-11,13H,4,7-8H2,1-3H3/b9-5+/t10-,11?,13?/m0/s1
InChIKeyCHDKSZDYUKGPFP-NVHWYHCHSA-N
MW230.30 g/mol
LogP4.16
Rot. Bonds4

About (6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene

(6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene (PubChem CID 70355407) has the molecular formula C13H20F2O and a molecular weight of 230.30 g/mol. Its IUPAC name is (6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene.

Molecular Properties

Compound Name(6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene
PubChem CID70355407
Molecular FormulaC13H20F2O
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name(6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene
SMILESCC/C=C(\C)OCC1C(F)CC=C(F)[C@H]1C
InChIInChI=1S/C13H20F2O/c1-4-5-9(2)16-8-11-10(3)12(14)6-7-13(11)15/h5-6,10-11,13H,4,7-8H2,1-3H3/b9-5+/t10-,11?,13?/m0/s1
InChIKeyCHDKSZDYUKGPFP-NVHWYHCHSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropent-1-enyl]cyclohexane
CID 15651911
[(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane
CID 15651909
1-(Fluoromethoxy)-4-methylcyclohexene
CID 21337853
1-Methoxy-4-(trifluoromethyl)cyclohexene
CID 60006520
5,6-Ditert-butyl-1-(2-fluorobutoxy)cyclohexa-1,3-diene
CID 68177801
1,3-Difluoro-5-(5-methylcyclohexen-1-yl)oxycyclohexene
CID 69627240
6-(fluoromethyl)-5-[(E)-2-fluoro-3-methylbut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070305
5-[(E)-2-fluorobut-1-enyl]-6-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070308
6-(3-fluoro-2-methylbutyl)-3,5-dimethyl-3,4-dihydro-2H-pyran
CID 71070338
5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070349
(6R)-1-(cyclopropylmethoxy)-6-(3,3-difluoropropyl)-3-methylcyclohexa-1,3-diene
CID 71243209
3-Fluoro-1-methoxy-6-methylcyclohexene
CID 89143207

Frequently Asked Questions

What is the IUPAC name of (6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene?
The IUPAC name of (6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene (CID 70355407) is (6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene.
What is the SMILES notation for (6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene?
The canonical SMILES for (6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene is CC/C=C(\C)OCC1C(F)CC=C(F)[C@H]1C.
What is the InChIKey of (6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene?
The InChIKey is CHDKSZDYUKGPFP-NVHWYHCHSA-N. The full InChI is InChI=1S/C13H20F2O/c1-4-5-9(2)16-8-11-10(3)12(14)6-7-13(11)15/h5-6,10-11,13H,4,7-8H2,1-3H3/b9-5+/t10-,11?,13?/m0/s1.
What are the key properties of (6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene?
(6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene has a molecular weight of 230.30 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene is sourced from PubChem (CID 70355407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).