(5S,9S)-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-ol

C9H14O3 — CID 11008345

IUPAC(5S,9S)-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-ol
SMILESCC1(C)OC[C@]2(CC=C[C@@H]2O)O1
InChIInChI=1S/C9H14O3/c1-8(2)11-6-9(12-8)5-3-4-7(9)10/h3-4,7,10H,5-6H2,1-2H3/t7-,9-/m0/s1
InChIKeyRYHQVJOPYXTYFN-CBAPKCEASA-N
MW170.21 g/mol
LogP0.83
Rot. Bonds

About (5S,9S)-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-ol

(5S,9S)-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-ol (PubChem CID 11008345) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (5S,9S)-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-ol.

Molecular Properties

Compound Name(5S,9S)-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-ol
PubChem CID11008345
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(5S,9S)-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-ol
SMILESCC1(C)OC[C@]2(CC=C[C@@H]2O)O1
InChIInChI=1S/C9H14O3/c1-8(2)11-6-9(12-8)5-3-4-7(9)10/h3-4,7,10H,5-6H2,1-2H3/t7-,9-/m0/s1
InChIKeyRYHQVJOPYXTYFN-CBAPKCEASA-N
XLogP0.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
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 (5S,9S)-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-ol?
The IUPAC name of (5S,9S)-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-ol (CID 11008345) is (5S,9S)-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-ol.
What is the SMILES notation for (5S,9S)-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-ol?
The canonical SMILES for (5S,9S)-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-ol is CC1(C)OC[C@]2(CC=C[C@@H]2O)O1.
What is the InChIKey of (5S,9S)-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-ol?
The InChIKey is RYHQVJOPYXTYFN-CBAPKCEASA-N. The full InChI is InChI=1S/C9H14O3/c1-8(2)11-6-9(12-8)5-3-4-7(9)10/h3-4,7,10H,5-6H2,1-2H3/t7-,9-/m0/s1.
What are the key properties of (5S,9S)-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-ol?
(5S,9S)-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-ol has a molecular weight of 170.21 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-ol is sourced from PubChem (CID 11008345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).