(5S)-9-methylidene-1,6-dioxaspiro[4.5]decane

C9H14O2 — CID 15162519

IUPAC(5S)-9-methylidene-1,6-dioxaspiro[4.5]decane
SMILESC=C1CCO[C@@]2(CCCO2)C1
InChIInChI=1S/C9H14O2/c1-8-3-6-11-9(7-8)4-2-5-10-9/h1-7H2/t9-/m0/s1
InChIKeyWVMWFFYZLXVLGG-VIFPVBQESA-N
MW154.21 g/mol
LogP1.86
Rot. Bonds

About (5S)-9-methylidene-1,6-dioxaspiro[4.5]decane

(5S)-9-methylidene-1,6-dioxaspiro[4.5]decane (PubChem CID 15162519) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (5S)-9-methylidene-1,6-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-9-methylidene-1,6-dioxaspiro[4.5]decane
PubChem CID15162519
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(5S)-9-methylidene-1,6-dioxaspiro[4.5]decane
SMILESC=C1CCO[C@@]2(CCCO2)C1
InChIInChI=1S/C9H14O2/c1-8-3-6-11-9(7-8)4-2-5-10-9/h1-7H2/t9-/m0/s1
InChIKeyWVMWFFYZLXVLGG-VIFPVBQESA-N
XLogP1.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.86
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 (5S)-9-methylidene-1,6-dioxaspiro[4.5]decane?
The IUPAC name of (5S)-9-methylidene-1,6-dioxaspiro[4.5]decane (CID 15162519) is (5S)-9-methylidene-1,6-dioxaspiro[4.5]decane.
What is the SMILES notation for (5S)-9-methylidene-1,6-dioxaspiro[4.5]decane?
The canonical SMILES for (5S)-9-methylidene-1,6-dioxaspiro[4.5]decane is C=C1CCO[C@@]2(CCCO2)C1.
What is the InChIKey of (5S)-9-methylidene-1,6-dioxaspiro[4.5]decane?
The InChIKey is WVMWFFYZLXVLGG-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14O2/c1-8-3-6-11-9(7-8)4-2-5-10-9/h1-7H2/t9-/m0/s1.
What are the key properties of (5S)-9-methylidene-1,6-dioxaspiro[4.5]decane?
(5S)-9-methylidene-1,6-dioxaspiro[4.5]decane has a molecular weight of 154.21 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-methylidene-1,6-dioxaspiro[4.5]decane is sourced from PubChem (CID 15162519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).