(8S)-7,9-dioxadispiro[5.1.58.26]pentadec-12-ene

C13H20O2 — CID 134858820

IUPAC(8S)-7,9-dioxadispiro[5.1.58.26]pentadec-12-ene
SMILESC1=C[C@@]2(CCC3(CCCCC3)O2)OCC1
InChIInChI=1S/C13H20O2/c1-2-6-12(7-3-1)9-10-13(15-12)8-4-5-11-14-13/h4,8H,1-3,5-7,9-11H2/t13-/m1/s1
InChIKeyPPRSNZWCRSVBIH-CYBMUJFWSA-N
MW208.30 g/mol
LogP3.17
Rot. Bonds

About (8S)-7,9-dioxadispiro[5.1.58.26]pentadec-12-ene

(8S)-7,9-dioxadispiro[5.1.58.26]pentadec-12-ene (PubChem CID 134858820) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (8S)-7,9-dioxadispiro[5.1.58.26]pentadec-12-ene.

Molecular Properties

Compound Name(8S)-7,9-dioxadispiro[5.1.58.26]pentadec-12-ene
PubChem CID134858820
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(8S)-7,9-dioxadispiro[5.1.58.26]pentadec-12-ene
SMILESC1=C[C@@]2(CCC3(CCCCC3)O2)OCC1
InChIInChI=1S/C13H20O2/c1-2-6-12(7-3-1)9-10-13(15-12)8-4-5-11-14-13/h4,8H,1-3,5-7,9-11H2/t13-/m1/s1
InChIKeyPPRSNZWCRSVBIH-CYBMUJFWSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S,8R)-8-methoxy-1-oxaspiro[4.5]dec-6-ene
CID 11126670
4,6,8-Trioxadispiro[4.1.57.25]tetradec-11-ene
CID 90704592
8a-Methoxy-4a,5,6,7,8,8a-hexahydrochromene
CID 129871280
8-(3,6-dihydro-2H-pyran-2-yl)-1,4-dioxaspiro[4.5]decane
CID 58562553
3-[2-(2-Cyclohexylethoxy)propan-2-yloxy]cyclohexene
CID 144156608
(4E)-2-butoxy-7,9-dideuterio-4-(1-deuterio-2,2-dimethylpropylidene)-1-oxaspiro[4.5]decane
CID 11173624
2-Methoxy-1-oxaspiro[4.5]dec-3-ene
CID 13070952
(4E)-2-ethoxy-4-heptylidene-1-oxaspiro[4.5]decane
CID 101090099
(4Z)-2-ethoxy-4-heptylidene-1-oxaspiro[4.5]decane
CID 101090100
(4E)-4-(2,2-dimethylpropylidene)-2-ethoxy-1-oxaspiro[4.5]decane
CID 101090101
(5R)-4,6-dioxadispiro[4.1.57.25]tetradec-13-ene
CID 101805739
(5R,8R)-8-methoxy-1-oxaspiro[4.5]dec-6-ene
CID 101935793

Frequently Asked Questions

What is the IUPAC name of (8S)-7,9-dioxadispiro[5.1.58.26]pentadec-12-ene?
The IUPAC name of (8S)-7,9-dioxadispiro[5.1.58.26]pentadec-12-ene (CID 134858820) is (8S)-7,9-dioxadispiro[5.1.58.26]pentadec-12-ene.
What is the SMILES notation for (8S)-7,9-dioxadispiro[5.1.58.26]pentadec-12-ene?
The canonical SMILES for (8S)-7,9-dioxadispiro[5.1.58.26]pentadec-12-ene is C1=C[C@@]2(CCC3(CCCCC3)O2)OCC1.
What is the InChIKey of (8S)-7,9-dioxadispiro[5.1.58.26]pentadec-12-ene?
The InChIKey is PPRSNZWCRSVBIH-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-6-12(7-3-1)9-10-13(15-12)8-4-5-11-14-13/h4,8H,1-3,5-7,9-11H2/t13-/m1/s1.
What are the key properties of (8S)-7,9-dioxadispiro[5.1.58.26]pentadec-12-ene?
(8S)-7,9-dioxadispiro[5.1.58.26]pentadec-12-ene has a molecular weight of 208.30 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-7,9-dioxadispiro[5.1.58.26]pentadec-12-ene is sourced from PubChem (CID 134858820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).