(7S)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene

C13H20O2 — CID 58687841

IUPAC(7S)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene
SMILESC1=C[C@@]2(CCC1)CCCC1(C2)OCCO1
InChIInChI=1S/C13H20O2/c1-2-5-12(6-3-1)7-4-8-13(11-12)14-9-10-15-13/h2,5H,1,3-4,6-11H2/t12-/m1/s1
InChIKeyIUJOENIKEHNZMH-GFCCVEGCSA-N
MW208.30 g/mol
LogP3.03
Rot. Bonds

About (7S)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene

(7S)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene (PubChem CID 58687841) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (7S)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene.

Molecular Properties

Compound Name(7S)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene
PubChem CID58687841
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(7S)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene
SMILESC1=C[C@@]2(CCC1)CCCC1(C2)OCCO1
InChIInChI=1S/C13H20O2/c1-2-5-12(6-3-1)7-4-8-13(11-12)14-9-10-15-13/h2,5H,1,3-4,6-11H2/t12-/m1/s1
InChIKeyIUJOENIKEHNZMH-GFCCVEGCSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7S)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene?
The IUPAC name of (7S)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene (CID 58687841) is (7S)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene.
What is the SMILES notation for (7S)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene?
The canonical SMILES for (7S)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene is C1=C[C@@]2(CCC1)CCCC1(C2)OCCO1.
What is the InChIKey of (7S)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene?
The InChIKey is IUJOENIKEHNZMH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-5-12(6-3-1)7-4-8-13(11-12)14-9-10-15-13/h2,5H,1,3-4,6-11H2/t12-/m1/s1.
What are the key properties of (7S)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene?
(7S)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene has a molecular weight of 208.30 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene is sourced from PubChem (CID 58687841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).