(6R,7S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-ol

C12H20O3 — CID 11413203

IUPAC(6R,7S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-ol
SMILESC=CC[C@]1(C)[C@@H](O)CCCC12OCCO2
InChIInChI=1S/C12H20O3/c1-3-6-11(2)10(13)5-4-7-12(11)14-8-9-15-12/h3,10,13H,1,4-9H2,2H3/t10-,11+/m0/s1
InChIKeyXZTHCFIGGYTVNV-WDEREUQCSA-N
MW212.29 g/mol
LogP1.86
Rot. Bonds2

About (6R,7S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-ol

(6R,7S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-ol (PubChem CID 11413203) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (6R,7S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-ol.

Molecular Properties

Compound Name(6R,7S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-ol
PubChem CID11413203
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(6R,7S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-ol
SMILESC=CC[C@]1(C)[C@@H](O)CCCC12OCCO2
InChIInChI=1S/C12H20O3/c1-3-6-11(2)10(13)5-4-7-12(11)14-8-9-15-12/h3,10,13H,1,4-9H2,2H3/t10-,11+/m0/s1
InChIKeyXZTHCFIGGYTVNV-WDEREUQCSA-N
XLogP1.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.86
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 (6R,7S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-ol?
The IUPAC name of (6R,7S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-ol (CID 11413203) is (6R,7S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-ol.
What is the SMILES notation for (6R,7S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-ol?
The canonical SMILES for (6R,7S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-ol is C=CC[C@]1(C)[C@@H](O)CCCC12OCCO2.
What is the InChIKey of (6R,7S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-ol?
The InChIKey is XZTHCFIGGYTVNV-WDEREUQCSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-6-11(2)10(13)5-4-7-12(11)14-8-9-15-12/h3,10,13H,1,4-9H2,2H3/t10-,11+/m0/s1.
What are the key properties of (6R,7S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-ol?
(6R,7S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-ol has a molecular weight of 212.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-ol is sourced from PubChem (CID 11413203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).