(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octane

C11H18O2 — CID 15794103

IUPAC(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octane
SMILESC=CC[C@H]1CC12OCC(C)(C)CO2
InChIInChI=1S/C11H18O2/c1-4-5-9-6-11(9)12-7-10(2,3)8-13-11/h4,9H,1,5-8H2,2-3H3/t9-/m0/s1
InChIKeyLJVUJFCRMLFLSC-VIFPVBQESA-N
MW182.26 g/mol
LogP2.35
Rot. Bonds2

About (2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octane

(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octane (PubChem CID 15794103) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octane.

Molecular Properties

Compound Name(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octane
PubChem CID15794103
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octane
SMILESC=CC[C@H]1CC12OCC(C)(C)CO2
InChIInChI=1S/C11H18O2/c1-4-5-9-6-11(9)12-7-10(2,3)8-13-11/h4,9H,1,5-8H2,2-3H3/t9-/m0/s1
InChIKeyLJVUJFCRMLFLSC-VIFPVBQESA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.35
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 (2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octane?
The IUPAC name of (2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octane (CID 15794103) is (2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octane.
What is the SMILES notation for (2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octane?
The canonical SMILES for (2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octane is C=CC[C@H]1CC12OCC(C)(C)CO2.
What is the InChIKey of (2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octane?
The InChIKey is LJVUJFCRMLFLSC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18O2/c1-4-5-9-6-11(9)12-7-10(2,3)8-13-11/h4,9H,1,5-8H2,2-3H3/t9-/m0/s1.
What are the key properties of (2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octane?
(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octane has a molecular weight of 182.26 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octane is sourced from PubChem (CID 15794103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).