5,5-dimethylspiro[1,3-dioxane-2,2'-1H-acenaphthylene]-1'-ol

C17H18O3 — CID 603391

IUPAC5,5-dimethylspiro[1,3-dioxane-2,2'-1H-acenaphthylene]-1'-ol
SMILESCC1(C)COC2(OC1)c1cccc3cccc(c13)C2O
InChIInChI=1S/C17H18O3/c1-16(2)9-19-17(20-10-16)13-8-4-6-11-5-3-7-12(14(11)13)15(17)18/h3-8,15,18H,9-10H2,1-2H3
InChIKeyMQKDREHIIZRKQP-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.11
Rot. Bonds

About 5,5-dimethylspiro[1,3-dioxane-2,2'-1H-acenaphthylene]-1'-ol

5,5-dimethylspiro[1,3-dioxane-2,2'-1H-acenaphthylene]-1'-ol (PubChem CID 603391) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5,5-dimethylspiro[1,3-dioxane-2,2'-1H-acenaphthylene]-1'-ol.

Molecular Properties

Compound Name5,5-dimethylspiro[1,3-dioxane-2,2'-1H-acenaphthylene]-1'-ol
PubChem CID603391
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name5,5-dimethylspiro[1,3-dioxane-2,2'-1H-acenaphthylene]-1'-ol
SMILESCC1(C)COC2(OC1)c1cccc3cccc(c13)C2O
InChIInChI=1S/C17H18O3/c1-16(2)9-19-17(20-10-16)13-8-4-6-11-5-3-7-12(14(11)13)15(17)18/h3-8,15,18H,9-10H2,1-2H3
InChIKeyMQKDREHIIZRKQP-UHFFFAOYSA-N
XLogP3.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(+-)-trans-Acenaphthene-1,2-diol
CID 5460368
(3S,3'R,4'S,5'S,6'R)-6'-methyl-5-(naphthalen-2-ylmethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
CID 135360652
7-Hydroxy-10-ethoxydehydrodihydrobotrydial
CID 11265857
(1,2)-Acenaphthenediol
CID 99087
7-Hydroxy-10-methoxydehydrodihydrobotrydial
CID 11459695
2,3-dihydro-2-hydroxy-3-O-glucuronide-fluoranthene
CID 168354689
2,3-dihydro-3-hydroxy-2-O-glucuronide-fluoranthene
CID 168354696
2,3-di-O-glucuronide-fluoranthene
CID 168354701
(2S,3S,4R,5R)-2-(9H-fluoren-9-yloxy)tetrahydropyran-3,4,5-triol
CID 3011493
(2R,3R,4S,5S)-2-(9H-fluoren-9-yloxy)tetrahydropyran-3,4,5-triol
CID 6479858
(2R,3R,4S,5R)-2-(naphthalen-2-ylmethoxy)oxane-3,4,5-triol
CID 73350461
2-[[3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-yl]oxy]-6-methoxyoxane-3,4,5-triol
CID 162877496

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylspiro[1,3-dioxane-2,2'-1H-acenaphthylene]-1'-ol?
The IUPAC name of 5,5-dimethylspiro[1,3-dioxane-2,2'-1H-acenaphthylene]-1'-ol (CID 603391) is 5,5-dimethylspiro[1,3-dioxane-2,2'-1H-acenaphthylene]-1'-ol.
What is the SMILES notation for 5,5-dimethylspiro[1,3-dioxane-2,2'-1H-acenaphthylene]-1'-ol?
The canonical SMILES for 5,5-dimethylspiro[1,3-dioxane-2,2'-1H-acenaphthylene]-1'-ol is CC1(C)COC2(OC1)c1cccc3cccc(c13)C2O.
What is the InChIKey of 5,5-dimethylspiro[1,3-dioxane-2,2'-1H-acenaphthylene]-1'-ol?
The InChIKey is MQKDREHIIZRKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-16(2)9-19-17(20-10-16)13-8-4-6-11-5-3-7-12(14(11)13)15(17)18/h3-8,15,18H,9-10H2,1-2H3.
What are the key properties of 5,5-dimethylspiro[1,3-dioxane-2,2'-1H-acenaphthylene]-1'-ol?
5,5-dimethylspiro[1,3-dioxane-2,2'-1H-acenaphthylene]-1'-ol has a molecular weight of 270.33 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylspiro[1,3-dioxane-2,2'-1H-acenaphthylene]-1'-ol is sourced from PubChem (CID 603391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).