10-ethenyl-3-(7-oxabicyclo[4.1.0]heptan-3-yl)-2,4-dioxaspiro[5.5]undecan-9-ol

C17H26O4 — CID 59097460

IUPAC10-ethenyl-3-(7-oxabicyclo[4.1.0]heptan-3-yl)-2,4-dioxaspiro[5.5]undecan-9-ol
SMILESC=CC1CC2(CCC1O)COC(C1CCC3OC3C1)OC2
InChIInChI=1S/C17H26O4/c1-2-11-8-17(6-5-13(11)18)9-19-16(20-10-17)12-3-4-14-15(7-12)21-14/h2,11-16,18H,1,3-10H2
InChIKeyIIYJRQIPCFHINT-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.26
Rot. Bonds2

About 10-ethenyl-3-(7-oxabicyclo[4.1.0]heptan-3-yl)-2,4-dioxaspiro[5.5]undecan-9-ol

10-ethenyl-3-(7-oxabicyclo[4.1.0]heptan-3-yl)-2,4-dioxaspiro[5.5]undecan-9-ol (PubChem CID 59097460) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 10-ethenyl-3-(7-oxabicyclo[4.1.0]heptan-3-yl)-2,4-dioxaspiro[5.5]undecan-9-ol.

Molecular Properties

Compound Name10-ethenyl-3-(7-oxabicyclo[4.1.0]heptan-3-yl)-2,4-dioxaspiro[5.5]undecan-9-ol
PubChem CID59097460
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name10-ethenyl-3-(7-oxabicyclo[4.1.0]heptan-3-yl)-2,4-dioxaspiro[5.5]undecan-9-ol
SMILESC=CC1CC2(CCC1O)COC(C1CCC3OC3C1)OC2
InChIInChI=1S/C17H26O4/c1-2-11-8-17(6-5-13(11)18)9-19-16(20-10-17)12-3-4-14-15(7-12)21-14/h2,11-16,18H,1,3-10H2
InChIKeyIIYJRQIPCFHINT-UHFFFAOYSA-N
XLogP2.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

CID 159242173
CID 159242173
2'-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[7-oxabicyclo[4.1.0]heptane-3,5'-cyclohexane]-1',3'-diol
CID 18182975
[9-hydroxy-3-(3-methylcyclohexyl)-2,4-dioxaspiro[5.5]undecan-10-yl] prop-2-enoate
CID 130420576
3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxan-5-yl]-7-oxabicyclo[4.1.0]heptane
CID 20724004
3-ethenyl-7-oxabicyclo[4.1.0]heptane;2-ethenyl-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethylperoxymethyl)cyclohexan-1-ol
CID 90918808
3-cyclopropyl-7-oxabicyclo[4.1.0]heptane
CID 88535344
(1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol
CID 12636256
3-(7-oxabicyclo[4.1.0]heptan-3-yl)cyclohexan-1-ol
CID 89082378
2-ethenylcyclopropan-1-ol
CID 54500145
(1R,3S,8R,11S,13R,14S)-13-ethenyl-2,7,12-trioxatricyclo[9.5.0.03,8]hexadecan-14-ol
CID 11807695
5'-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[7-oxabicyclo[4.1.0]heptane-3,2'-oxane]
CID 154980483
2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol
CID 130124205

Frequently Asked Questions

What is the IUPAC name of 10-ethenyl-3-(7-oxabicyclo[4.1.0]heptan-3-yl)-2,4-dioxaspiro[5.5]undecan-9-ol?
The IUPAC name of 10-ethenyl-3-(7-oxabicyclo[4.1.0]heptan-3-yl)-2,4-dioxaspiro[5.5]undecan-9-ol (CID 59097460) is 10-ethenyl-3-(7-oxabicyclo[4.1.0]heptan-3-yl)-2,4-dioxaspiro[5.5]undecan-9-ol.
What is the SMILES notation for 10-ethenyl-3-(7-oxabicyclo[4.1.0]heptan-3-yl)-2,4-dioxaspiro[5.5]undecan-9-ol?
The canonical SMILES for 10-ethenyl-3-(7-oxabicyclo[4.1.0]heptan-3-yl)-2,4-dioxaspiro[5.5]undecan-9-ol is C=CC1CC2(CCC1O)COC(C1CCC3OC3C1)OC2.
What is the InChIKey of 10-ethenyl-3-(7-oxabicyclo[4.1.0]heptan-3-yl)-2,4-dioxaspiro[5.5]undecan-9-ol?
The InChIKey is IIYJRQIPCFHINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-2-11-8-17(6-5-13(11)18)9-19-16(20-10-17)12-3-4-14-15(7-12)21-14/h2,11-16,18H,1,3-10H2.
What are the key properties of 10-ethenyl-3-(7-oxabicyclo[4.1.0]heptan-3-yl)-2,4-dioxaspiro[5.5]undecan-9-ol?
10-ethenyl-3-(7-oxabicyclo[4.1.0]heptan-3-yl)-2,4-dioxaspiro[5.5]undecan-9-ol has a molecular weight of 294.39 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethenyl-3-(7-oxabicyclo[4.1.0]heptan-3-yl)-2,4-dioxaspiro[5.5]undecan-9-ol is sourced from PubChem (CID 59097460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).