(E)-3-[[(1R)-cyclohex-2-en-1-yl]methoxy]-2-ethyl-4-fluorobut-2-en-1-ol

C13H21FO2 — CID 71277070

IUPAC(E)-3-[[(1R)-cyclohex-2-en-1-yl]methoxy]-2-ethyl-4-fluorobut-2-en-1-ol
SMILESCC/C(CO)=C(/CF)OC[C@H]1C=CCCC1
InChIInChI=1S/C13H21FO2/c1-2-12(9-15)13(8-14)16-10-11-6-4-3-5-7-11/h4,6,11,15H,2-3,5,7-10H2,1H3/b13-12+/t11-/m0/s1
InChIKeyIGLCINOSZPUXSR-UMAGAQSHSA-N
MW228.31 g/mol
LogP2.99
Rot. Bonds6

About (E)-3-[[(1R)-cyclohex-2-en-1-yl]methoxy]-2-ethyl-4-fluorobut-2-en-1-ol

(E)-3-[[(1R)-cyclohex-2-en-1-yl]methoxy]-2-ethyl-4-fluorobut-2-en-1-ol (PubChem CID 71277070) has the molecular formula C13H21FO2 and a molecular weight of 228.31 g/mol. Its IUPAC name is (E)-3-[[(1R)-cyclohex-2-en-1-yl]methoxy]-2-ethyl-4-fluorobut-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[[(1R)-cyclohex-2-en-1-yl]methoxy]-2-ethyl-4-fluorobut-2-en-1-ol
PubChem CID71277070
Molecular FormulaC13H21FO2
Molecular Weight228.31 g/mol
Exact Mass228.15
IUPAC Name(E)-3-[[(1R)-cyclohex-2-en-1-yl]methoxy]-2-ethyl-4-fluorobut-2-en-1-ol
SMILESCC/C(CO)=C(/CF)OC[C@H]1C=CCCC1
InChIInChI=1S/C13H21FO2/c1-2-12(9-15)13(8-14)16-10-11-6-4-3-5-7-11/h4,6,11,15H,2-3,5,7-10H2,1H3/b13-12+/t11-/m0/s1
InChIKeyIGLCINOSZPUXSR-UMAGAQSHSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
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'}

Analyze (E)-3-[[(1R)-cyclohex-2-en-1-yl]methoxy]-2-ethyl-4-fluorobut-2-en-1-ol with MolForge

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Related Compounds

4-[(E)-3-hydroxyprop-1-enyl]-2-methoxycyclohexen-1-ol
CID 163755154
(1S,5S)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol
CID 11062798
(1S,5S)-3-[(E)-2-ethoxyethenyl]-5-ethylcyclohex-2-en-1-ol
CID 11333059
(1R,5R)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol
CID 102305765
2-[4-(2-Methylpropoxy)cyclohexa-1,4-dien-1-yl]propan-2-ol
CID 21324859
(5-Ethyl-4-methoxycyclohexa-1,4-dien-1-yl)methanol
CID 67254140
3,6-Dimethyl-5-prop-1-en-2-yloxycyclohex-2-en-1-ol
CID 130390502
(Z)-2-[6-(3-methylbutyl)-3-[(Z)-prop-1-enyl]-2H-pyran-4-yl]pent-2-en-1-ol
CID 134172927
2-[4-(3-Methylbut-2-enoxy)cyclohex-3-en-1-yl]ethanol
CID 139395239
ethane;(1S)-5-ethoxy-4-methylcyclohex-2-en-1-ol
CID 141941006
(1R,5S)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol
CID 10080774
3-(4-Methoxycyclohexa-1,4-dien-1-yl)butan-1-ol
CID 13411482

Frequently Asked Questions

What is the IUPAC name of (E)-3-[[(1R)-cyclohex-2-en-1-yl]methoxy]-2-ethyl-4-fluorobut-2-en-1-ol?
The IUPAC name of (E)-3-[[(1R)-cyclohex-2-en-1-yl]methoxy]-2-ethyl-4-fluorobut-2-en-1-ol (CID 71277070) is (E)-3-[[(1R)-cyclohex-2-en-1-yl]methoxy]-2-ethyl-4-fluorobut-2-en-1-ol.
What is the SMILES notation for (E)-3-[[(1R)-cyclohex-2-en-1-yl]methoxy]-2-ethyl-4-fluorobut-2-en-1-ol?
The canonical SMILES for (E)-3-[[(1R)-cyclohex-2-en-1-yl]methoxy]-2-ethyl-4-fluorobut-2-en-1-ol is CC/C(CO)=C(/CF)OC[C@H]1C=CCCC1.
What is the InChIKey of (E)-3-[[(1R)-cyclohex-2-en-1-yl]methoxy]-2-ethyl-4-fluorobut-2-en-1-ol?
The InChIKey is IGLCINOSZPUXSR-UMAGAQSHSA-N. The full InChI is InChI=1S/C13H21FO2/c1-2-12(9-15)13(8-14)16-10-11-6-4-3-5-7-11/h4,6,11,15H,2-3,5,7-10H2,1H3/b13-12+/t11-/m0/s1.
What are the key properties of (E)-3-[[(1R)-cyclohex-2-en-1-yl]methoxy]-2-ethyl-4-fluorobut-2-en-1-ol?
(E)-3-[[(1R)-cyclohex-2-en-1-yl]methoxy]-2-ethyl-4-fluorobut-2-en-1-ol has a molecular weight of 228.31 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[[(1R)-cyclohex-2-en-1-yl]methoxy]-2-ethyl-4-fluorobut-2-en-1-ol is sourced from PubChem (CID 71277070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).