2-[(2'R,3'aS,5'R,6'S,6'aS)-6'-methoxy-2',5'-dimethylspiro[1,3-dioxolane-2,3'-1,3a,4,5,6,6a-hexahydropentalene]-2'-yl]ethanol

C15H26O4 — CID 10635759

IUPAC2-[(2'R,3'aS,5'R,6'S,6'aS)-6'-methoxy-2',5'-dimethylspiro[1,3-dioxolane-2,3'-1,3a,4,5,6,6a-hexahydropentalene]-2'-yl]ethanol
SMILESCO[C@@H]1[C@H]2C[C@](C)(CCO)C3(OCCO3)[C@H]2C[C@H]1C
InChIInChI=1S/C15H26O4/c1-10-8-12-11(13(10)17-3)9-14(2,4-5-16)15(12)18-6-7-19-15/h10-13,16H,4-9H2,1-3H3/t10-,11+,12+,13+,14+/m1/s1
InChIKeyZFWUSVKTPOXSMW-QMVSFRDZSA-N
MW270.37 g/mol
LogP1.81
Rot. Bonds3

About 2-[(2'R,3'aS,5'R,6'S,6'aS)-6'-methoxy-2',5'-dimethylspiro[1,3-dioxolane-2,3'-1,3a,4,5,6,6a-hexahydropentalene]-2'-yl]ethanol

2-[(2'R,3'aS,5'R,6'S,6'aS)-6'-methoxy-2',5'-dimethylspiro[1,3-dioxolane-2,3'-1,3a,4,5,6,6a-hexahydropentalene]-2'-yl]ethanol (PubChem CID 10635759) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(2'R,3'aS,5'R,6'S,6'aS)-6'-methoxy-2',5'-dimethylspiro[1,3-dioxolane-2,3'-1,3a,4,5,6,6a-hexahydropentalene]-2'-yl]ethanol.

Molecular Properties

Compound Name2-[(2'R,3'aS,5'R,6'S,6'aS)-6'-methoxy-2',5'-dimethylspiro[1,3-dioxolane-2,3'-1,3a,4,5,6,6a-hexahydropentalene]-2'-yl]ethanol
PubChem CID10635759
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name2-[(2'R,3'aS,5'R,6'S,6'aS)-6'-methoxy-2',5'-dimethylspiro[1,3-dioxolane-2,3'-1,3a,4,5,6,6a-hexahydropentalene]-2'-yl]ethanol
SMILESCO[C@@H]1[C@H]2C[C@](C)(CCO)C3(OCCO3)[C@H]2C[C@H]1C
InChIInChI=1S/C15H26O4/c1-10-8-12-11(13(10)17-3)9-14(2,4-5-16)15(12)18-6-7-19-15/h10-13,16H,4-9H2,1-3H3/t10-,11+,12+,13+,14+/m1/s1
InChIKeyZFWUSVKTPOXSMW-QMVSFRDZSA-N
XLogP1.81
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2'R,3'aS,5'R,6'S,6'aS)-6'-methoxy-2',5'-dimethylspiro[1,3-dioxolane-2,3'-1,3a,4,5,6,6a-hexahydropentalene]-2'-yl]ethanol with MolForge

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Related Compounds

(1'R,2'R,3'aR,6'aR)-1',3'a,5,5,6'a-pentamethylspiro[1,3-dioxane-2,5'-2,3,4,6-tetrahydro-1H-pentalene]-2'-ol
CID 90681906
(1'S,2'R,3'aR,6'aR)-1',3'a,5,5,6'a-pentamethylspiro[1,3-dioxane-2,5'-2,3,4,6-tetrahydro-1H-pentalene]-2'-ol
CID 90681907
(1'R,2'S,3'aS,6'aS)-spiro[1,3-dioxolane-2,4'-2,3,3a,5,6,6a-hexahydro-1H-pentalene]-1',2'-diol
CID 90682014
(3aS,3bR,6aS,7S,7aS)-3a,5,5-trimethylspiro[1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-7-ol
CID 13967840
(1r,3r,4s)-2-((3-Hydroxy-2,2,4-trimethylcyclopentyl)methyl)-1,3-dioxolan
CID 15143308
(1r,3r,4r)-2-((3-Hydroxy-2,2,4-trimethylcyclopentyl)methyl)-1,3-dioxolan
CID 15143309
(1r,3s,4r)-2-((3-Hydroxy-2,2,4-trimethylcyclopentyl)methyl)-1,3-dioxolan
CID 15143310
(1r,3s,4s)-2-((3-Hydroxy-2,2,4-trimethylcyclopentyl)methyl)-1,3-dioxolan
CID 15143311
(3aS,3bS,4S,6aR,7aS)-3a,5,5-trimethylspiro[1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-4-ol
CID 134906382
(1R,2R,8R,11R)-3,3,11-Trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-ol
CID 139057879
(1'R,3'aR,9'R,9'aR)-1',8',8'-trimethylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7,9,9a-octahydro-1H-cyclopenta[8]annulene]-9'-ol
CID 139057880
(1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol
CID 154720137

Frequently Asked Questions

What is the IUPAC name of 2-[(2'R,3'aS,5'R,6'S,6'aS)-6'-methoxy-2',5'-dimethylspiro[1,3-dioxolane-2,3'-1,3a,4,5,6,6a-hexahydropentalene]-2'-yl]ethanol?
The IUPAC name of 2-[(2'R,3'aS,5'R,6'S,6'aS)-6'-methoxy-2',5'-dimethylspiro[1,3-dioxolane-2,3'-1,3a,4,5,6,6a-hexahydropentalene]-2'-yl]ethanol (CID 10635759) is 2-[(2'R,3'aS,5'R,6'S,6'aS)-6'-methoxy-2',5'-dimethylspiro[1,3-dioxolane-2,3'-1,3a,4,5,6,6a-hexahydropentalene]-2'-yl]ethanol.
What is the SMILES notation for 2-[(2'R,3'aS,5'R,6'S,6'aS)-6'-methoxy-2',5'-dimethylspiro[1,3-dioxolane-2,3'-1,3a,4,5,6,6a-hexahydropentalene]-2'-yl]ethanol?
The canonical SMILES for 2-[(2'R,3'aS,5'R,6'S,6'aS)-6'-methoxy-2',5'-dimethylspiro[1,3-dioxolane-2,3'-1,3a,4,5,6,6a-hexahydropentalene]-2'-yl]ethanol is CO[C@@H]1[C@H]2C[C@](C)(CCO)C3(OCCO3)[C@H]2C[C@H]1C.
What is the InChIKey of 2-[(2'R,3'aS,5'R,6'S,6'aS)-6'-methoxy-2',5'-dimethylspiro[1,3-dioxolane-2,3'-1,3a,4,5,6,6a-hexahydropentalene]-2'-yl]ethanol?
The InChIKey is ZFWUSVKTPOXSMW-QMVSFRDZSA-N. The full InChI is InChI=1S/C15H26O4/c1-10-8-12-11(13(10)17-3)9-14(2,4-5-16)15(12)18-6-7-19-15/h10-13,16H,4-9H2,1-3H3/t10-,11+,12+,13+,14+/m1/s1.
What are the key properties of 2-[(2'R,3'aS,5'R,6'S,6'aS)-6'-methoxy-2',5'-dimethylspiro[1,3-dioxolane-2,3'-1,3a,4,5,6,6a-hexahydropentalene]-2'-yl]ethanol?
2-[(2'R,3'aS,5'R,6'S,6'aS)-6'-methoxy-2',5'-dimethylspiro[1,3-dioxolane-2,3'-1,3a,4,5,6,6a-hexahydropentalene]-2'-yl]ethanol has a molecular weight of 270.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2'R,3'aS,5'R,6'S,6'aS)-6'-methoxy-2',5'-dimethylspiro[1,3-dioxolane-2,3'-1,3a,4,5,6,6a-hexahydropentalene]-2'-yl]ethanol is sourced from PubChem (CID 10635759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).