(3S)-3-prop-1-en-2-yl-1,8-dioxaspiro[4.5]decane

C11H18O2 — CID 170034190

IUPAC(3S)-3-prop-1-en-2-yl-1,8-dioxaspiro[4.5]decane
SMILESC=C(C)[C@H]1COC2(CCOCC2)C1
InChIInChI=1S/C11H18O2/c1-9(2)10-7-11(13-8-10)3-5-12-6-4-11/h10H,1,3-8H2,2H3/t10-/m1/s1
InChIKeyWBEWWKWODYSJKM-SNVBAGLBSA-N
MW182.26 g/mol
LogP2.15
Rot. Bonds1

About (3S)-3-prop-1-en-2-yl-1,8-dioxaspiro[4.5]decane

(3S)-3-prop-1-en-2-yl-1,8-dioxaspiro[4.5]decane (PubChem CID 170034190) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (3S)-3-prop-1-en-2-yl-1,8-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-prop-1-en-2-yl-1,8-dioxaspiro[4.5]decane
PubChem CID170034190
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(3S)-3-prop-1-en-2-yl-1,8-dioxaspiro[4.5]decane
SMILESC=C(C)[C@H]1COC2(CCOCC2)C1
InChIInChI=1S/C11H18O2/c1-9(2)10-7-11(13-8-10)3-5-12-6-4-11/h10H,1,3-8H2,2H3/t10-/m1/s1
InChIKeyWBEWWKWODYSJKM-SNVBAGLBSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.15
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 (3S)-3-prop-1-en-2-yl-1,8-dioxaspiro[4.5]decane?
The IUPAC name of (3S)-3-prop-1-en-2-yl-1,8-dioxaspiro[4.5]decane (CID 170034190) is (3S)-3-prop-1-en-2-yl-1,8-dioxaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-prop-1-en-2-yl-1,8-dioxaspiro[4.5]decane?
The canonical SMILES for (3S)-3-prop-1-en-2-yl-1,8-dioxaspiro[4.5]decane is C=C(C)[C@H]1COC2(CCOCC2)C1.
What is the InChIKey of (3S)-3-prop-1-en-2-yl-1,8-dioxaspiro[4.5]decane?
The InChIKey is WBEWWKWODYSJKM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18O2/c1-9(2)10-7-11(13-8-10)3-5-12-6-4-11/h10H,1,3-8H2,2H3/t10-/m1/s1.
What are the key properties of (3S)-3-prop-1-en-2-yl-1,8-dioxaspiro[4.5]decane?
(3S)-3-prop-1-en-2-yl-1,8-dioxaspiro[4.5]decane has a molecular weight of 182.26 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-prop-1-en-2-yl-1,8-dioxaspiro[4.5]decane is sourced from PubChem (CID 170034190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).