(3R)-3-[(1R)-1-prop-2-enoxybut-3-enyl]-1,4-dioxaspiro[4.5]decane

C15H24O3 — CID 91982449

IUPAC(3R)-3-[(1R)-1-prop-2-enoxybut-3-enyl]-1,4-dioxaspiro[4.5]decane
SMILESC=CCO[C@H](CC=C)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C15H24O3/c1-3-8-13(16-11-4-2)14-12-17-15(18-14)9-6-5-7-10-15/h3-4,13-14H,1-2,5-12H2/t13-,14-/m1/s1
InChIKeyFOTPSZXAINNPSN-ZIAGYGMSSA-N
MW252.35 g/mol
LogP3.21
Rot. Bonds6

About (3R)-3-[(1R)-1-prop-2-enoxybut-3-enyl]-1,4-dioxaspiro[4.5]decane

(3R)-3-[(1R)-1-prop-2-enoxybut-3-enyl]-1,4-dioxaspiro[4.5]decane (PubChem CID 91982449) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (3R)-3-[(1R)-1-prop-2-enoxybut-3-enyl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-[(1R)-1-prop-2-enoxybut-3-enyl]-1,4-dioxaspiro[4.5]decane
PubChem CID91982449
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(3R)-3-[(1R)-1-prop-2-enoxybut-3-enyl]-1,4-dioxaspiro[4.5]decane
SMILESC=CCO[C@H](CC=C)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C15H24O3/c1-3-8-13(16-11-4-2)14-12-17-15(18-14)9-6-5-7-10-15/h3-4,13-14H,1-2,5-12H2/t13-,14-/m1/s1
InChIKeyFOTPSZXAINNPSN-ZIAGYGMSSA-N
XLogP3.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (3R)-3-[(1R)-1-prop-2-enoxybut-3-enyl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (3R)-3-[(1R)-1-prop-2-enoxybut-3-enyl]-1,4-dioxaspiro[4.5]decane (CID 91982449) is (3R)-3-[(1R)-1-prop-2-enoxybut-3-enyl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-[(1R)-1-prop-2-enoxybut-3-enyl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (3R)-3-[(1R)-1-prop-2-enoxybut-3-enyl]-1,4-dioxaspiro[4.5]decane is C=CCO[C@H](CC=C)[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of (3R)-3-[(1R)-1-prop-2-enoxybut-3-enyl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is FOTPSZXAINNPSN-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H24O3/c1-3-8-13(16-11-4-2)14-12-17-15(18-14)9-6-5-7-10-15/h3-4,13-14H,1-2,5-12H2/t13-,14-/m1/s1.
What are the key properties of (3R)-3-[(1R)-1-prop-2-enoxybut-3-enyl]-1,4-dioxaspiro[4.5]decane?
(3R)-3-[(1R)-1-prop-2-enoxybut-3-enyl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 252.35 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1R)-1-prop-2-enoxybut-3-enyl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 91982449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).