(5R,7S)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-ol

C10H16O3 — CID 130877533

IUPAC(5R,7S)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-ol
SMILESCC1=C[C@@H](O)C[C@]12COC(C)(C)O2
InChIInChI=1S/C10H16O3/c1-7-4-8(11)5-10(7)6-12-9(2,3)13-10/h4,8,11H,5-6H2,1-3H3/t8-,10+/m1/s1
InChIKeyUNUMIYMJWYUHFX-SCZZXKLOSA-N
MW184.23 g/mol
LogP1.22
Rot. Bonds

About (5R,7S)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-ol

(5R,7S)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-ol (PubChem CID 130877533) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (5R,7S)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-ol.

Molecular Properties

Compound Name(5R,7S)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-ol
PubChem CID130877533
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(5R,7S)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-ol
SMILESCC1=C[C@@H](O)C[C@]12COC(C)(C)O2
InChIInChI=1S/C10H16O3/c1-7-4-8(11)5-10(7)6-12-9(2,3)13-10/h4,8,11H,5-6H2,1-3H3/t8-,10+/m1/s1
InChIKeyUNUMIYMJWYUHFX-SCZZXKLOSA-N
XLogP1.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,4E)-4-[(E)-but-2-enylidene]-2-methoxy-2-methyloxolan-3-ol
CID 10081073
(2R)-3,3-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]propane-1,2-diol
CID 118012903
(2R)-1,1-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]butan-2-ol
CID 118012904
(2S)-2-(difluoromethyl)-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]butan-1-ol
CID 118019522
(2R)-2-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]-1,1-difluorobutan-2-ol
CID 121430272
(2R)-3,3-difluoro-2-[(5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]propane-1,2-diol
CID 129150139
(3aS,4R,6aS)-4-ethyl-5-fluoro-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ol
CID 134195797
3,3-difluoro-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]propane-1,2-diol
CID 156259523
(2R)-2-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]-3,3,3-trifluoropropane-1,2-diol
CID 169068433
2-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]-3,3,3-trifluoropropane-1,2-diol
CID 169778738
(E,4R,5R)-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ene-1,5-diol
CID 46849798
(3R,4E)-4-heptylidene-2,2-dimethyloxolan-3-ol
CID 101404098

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-ol?
The IUPAC name of (5R,7S)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-ol (CID 130877533) is (5R,7S)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-ol.
What is the SMILES notation for (5R,7S)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-ol?
The canonical SMILES for (5R,7S)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-ol is CC1=C[C@@H](O)C[C@]12COC(C)(C)O2.
What is the InChIKey of (5R,7S)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-ol?
The InChIKey is UNUMIYMJWYUHFX-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H16O3/c1-7-4-8(11)5-10(7)6-12-9(2,3)13-10/h4,8,11H,5-6H2,1-3H3/t8-,10+/m1/s1.
What are the key properties of (5R,7S)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-ol?
(5R,7S)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-ol has a molecular weight of 184.23 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-ol is sourced from PubChem (CID 130877533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).