(4Z)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4E)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4Z)-2-ethoxy-4-ethylidenecyclohexan-1-ol;(5Z)-2-ethoxy-5-ethylidenecyclohexan-1-ol;(5E)-2-ethoxy-5-ethylidenecyclohexan-1-ol

C50H86O10 — CID 161006134

IUPAC(4Z)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4E)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4Z)-2-ethoxy-4-ethylidenecyclohexan-1-ol;(5Z)-2-ethoxy-5-ethylidenecyclohexan-1-ol;(5E)-2-ethoxy-5-ethylidenecyclohexan-1-ol
SMILESC/C=C1/CCC(O)C(OCC)C1.C/C=C1/CCC(OCC)C(O)C1.C/C=C1\CCC(OCC)C(O)C1.C=COC1C/C(=C/C)CCC1O.C=COC1C/C(=C\C)CCC1O
InChIInChI=1S/3C10H18O2.2C10H16O2/c2*1-3-8-5-6-10(12-4-2)9(11)7-8;3*1-3-8-5-6-9(11)10(7-8)12-4-2/h3*3,9-11H,4-7H2,1-2H3;2*3-4,9-11H,2,5-7H2,1H3/b8-3+;2*8-3-;8-3+;8-3-
InChIKeyTWNHBJRYVXUVQQ-MKAWQDHKSA-N
MW847.23 g/mol
LogP9.66
Rot. Bonds10

About (4Z)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4E)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4Z)-2-ethoxy-4-ethylidenecyclohexan-1-ol;(5Z)-2-ethoxy-5-ethylidenecyclohexan-1-ol;(5E)-2-ethoxy-5-ethylidenecyclohexan-1-ol

(4Z)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4E)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4Z)-2-ethoxy-4-ethylidenecyclohexan-1-ol;(5Z)-2-ethoxy-5-ethylidenecyclohexan-1-ol;(5E)-2-ethoxy-5-ethylidenecyclohexan-1-ol (PubChem CID 161006134) has the molecular formula C50H86O10 and a molecular weight of 847.23 g/mol. Its IUPAC name is (4Z)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4E)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4Z)-2-ethoxy-4-ethylidenecyclohexan-1-ol;(5Z)-2-ethoxy-5-ethylidenecyclohexan-1-ol;(5E)-2-ethoxy-5-ethylidenecyclohexan-1-ol.

Molecular Properties

Compound Name(4Z)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4E)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4Z)-2-ethoxy-4-ethylidenecyclohexan-1-ol;(5Z)-2-ethoxy-5-ethylidenecyclohexan-1-ol;(5E)-2-ethoxy-5-ethylidenecyclohexan-1-ol
PubChem CID161006134
Molecular FormulaC50H86O10
Molecular Weight847.23 g/mol
Exact Mass846.62
IUPAC Name(4Z)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4E)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4Z)-2-ethoxy-4-ethylidenecyclohexan-1-ol;(5Z)-2-ethoxy-5-ethylidenecyclohexan-1-ol;(5E)-2-ethoxy-5-ethylidenecyclohexan-1-ol
SMILESC/C=C1/CCC(O)C(OCC)C1.C/C=C1/CCC(OCC)C(O)C1.C/C=C1\CCC(OCC)C(O)C1.C=COC1C/C(=C/C)CCC1O.C=COC1C/C(=C\C)CCC1O
InChIInChI=1S/3C10H18O2.2C10H16O2/c2*1-3-8-5-6-10(12-4-2)9(11)7-8;3*1-3-8-5-6-9(11)10(7-8)12-4-2/h3*3,9-11H,4-7H2,1-2H3;2*3-4,9-11H,2,5-7H2,1H3/b8-3+;2*8-3-;8-3+;8-3-
InChIKeyTWNHBJRYVXUVQQ-MKAWQDHKSA-N
XLogP9.66
TPSA147.30 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.23
LogP ≤ 59.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (4Z)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4E)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4Z)-2-ethoxy-4-ethylidenecyclohexan-1-ol;(5Z)-2-ethoxy-5-ethylidenecyclohexan-1-ol;(5E)-2-ethoxy-5-ethylidenecyclohexan-1-ol with MolForge

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Related Compounds

(4E)-2-ethoxy-4-ethylidenecyclohexan-1-ol
CID 118659504
(4E)-4-ethylidene-2-propoxycyclohexan-1-ol
CID 118659403
(4E)-2-butan-2-yloxy-4-ethylidenecyclohexan-1-ol
CID 118673033
(5Z)-5-ethylidene-2-propan-2-yloxycyclohexan-1-ol
CID 118659400
(4E)-4-propylidenecyclohexane-1,2-diol
CID 68778200
2-ethoxycyclooctan-1-ol
CID 18953000
cis-(1S,2R)-1-ethenyl-2-ethoxycyclopropane
CID 71389327
1-ethenoxy-4-ethoxycyclohexane
CID 87407943
(3E)-1-ethenyl-3-ethylidenecyclopentane
CID 155632567
ethane;2-ethoxycycloheptan-1-ol;(Z)-2-ethylbut-2-enal;prop-1-ene
CID 143380171
(3S,4S)-3-ethoxy-1-methylazepan-4-ol
CID 170715059
[(1S)-3-ethylidenecyclopentyl]methanol
CID 159536244

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4E)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4Z)-2-ethoxy-4-ethylidenecyclohexan-1-ol;(5Z)-2-ethoxy-5-ethylidenecyclohexan-1-ol;(5E)-2-ethoxy-5-ethylidenecyclohexan-1-ol?
The IUPAC name of (4Z)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4E)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4Z)-2-ethoxy-4-ethylidenecyclohexan-1-ol;(5Z)-2-ethoxy-5-ethylidenecyclohexan-1-ol;(5E)-2-ethoxy-5-ethylidenecyclohexan-1-ol (CID 161006134) is (4Z)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4E)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4Z)-2-ethoxy-4-ethylidenecyclohexan-1-ol;(5Z)-2-ethoxy-5-ethylidenecyclohexan-1-ol;(5E)-2-ethoxy-5-ethylidenecyclohexan-1-ol.
What is the SMILES notation for (4Z)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4E)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4Z)-2-ethoxy-4-ethylidenecyclohexan-1-ol;(5Z)-2-ethoxy-5-ethylidenecyclohexan-1-ol;(5E)-2-ethoxy-5-ethylidenecyclohexan-1-ol?
The canonical SMILES for (4Z)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4E)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4Z)-2-ethoxy-4-ethylidenecyclohexan-1-ol;(5Z)-2-ethoxy-5-ethylidenecyclohexan-1-ol;(5E)-2-ethoxy-5-ethylidenecyclohexan-1-ol is C/C=C1/CCC(O)C(OCC)C1.C/C=C1/CCC(OCC)C(O)C1.C/C=C1\CCC(OCC)C(O)C1.C=COC1C/C(=C/C)CCC1O.C=COC1C/C(=C\C)CCC1O.
What is the InChIKey of (4Z)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4E)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4Z)-2-ethoxy-4-ethylidenecyclohexan-1-ol;(5Z)-2-ethoxy-5-ethylidenecyclohexan-1-ol;(5E)-2-ethoxy-5-ethylidenecyclohexan-1-ol?
The InChIKey is TWNHBJRYVXUVQQ-MKAWQDHKSA-N. The full InChI is InChI=1S/3C10H18O2.2C10H16O2/c2*1-3-8-5-6-10(12-4-2)9(11)7-8;3*1-3-8-5-6-9(11)10(7-8)12-4-2/h3*3,9-11H,4-7H2,1-2H3;2*3-4,9-11H,2,5-7H2,1H3/b8-3+;2*8-3-;8-3+;8-3-.
What are the key properties of (4Z)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4E)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4Z)-2-ethoxy-4-ethylidenecyclohexan-1-ol;(5Z)-2-ethoxy-5-ethylidenecyclohexan-1-ol;(5E)-2-ethoxy-5-ethylidenecyclohexan-1-ol?
(4Z)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4E)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4Z)-2-ethoxy-4-ethylidenecyclohexan-1-ol;(5Z)-2-ethoxy-5-ethylidenecyclohexan-1-ol;(5E)-2-ethoxy-5-ethylidenecyclohexan-1-ol has a molecular weight of 847.23 g/mol, XLogP of 9.66, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4E)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4Z)-2-ethoxy-4-ethylidenecyclohexan-1-ol;(5Z)-2-ethoxy-5-ethylidenecyclohexan-1-ol;(5E)-2-ethoxy-5-ethylidenecyclohexan-1-ol is sourced from PubChem (CID 161006134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).