5-ethoxy-7,7-dimethyl-5,5a,6,8,8a,9-hexahydro-4H-azuleno[5,6-c]furan-9-ol

C16H24O3 — CID 85288716

IUPAC5-ethoxy-7,7-dimethyl-5,5a,6,8,8a,9-hexahydro-4H-azuleno[5,6-c]furan-9-ol
SMILESCCOC1Cc2cocc2C(O)C2CC(C)(C)CC12
InChIInChI=1S/C16H24O3/c1-4-19-14-5-10-8-18-9-13(10)15(17)12-7-16(2,3)6-11(12)14/h8-9,11-12,14-15,17H,4-7H2,1-3H3
InChIKeyLKVGLKSHOUPBIP-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.33
Rot. Bonds2

About 5-ethoxy-7,7-dimethyl-5,5a,6,8,8a,9-hexahydro-4H-azuleno[5,6-c]furan-9-ol

5-ethoxy-7,7-dimethyl-5,5a,6,8,8a,9-hexahydro-4H-azuleno[5,6-c]furan-9-ol (PubChem CID 85288716) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-ethoxy-7,7-dimethyl-5,5a,6,8,8a,9-hexahydro-4H-azuleno[5,6-c]furan-9-ol.

Molecular Properties

Compound Name5-ethoxy-7,7-dimethyl-5,5a,6,8,8a,9-hexahydro-4H-azuleno[5,6-c]furan-9-ol
PubChem CID85288716
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name5-ethoxy-7,7-dimethyl-5,5a,6,8,8a,9-hexahydro-4H-azuleno[5,6-c]furan-9-ol
SMILESCCOC1Cc2cocc2C(O)C2CC(C)(C)CC12
InChIInChI=1S/C16H24O3/c1-4-19-14-5-10-8-18-9-13(10)15(17)12-7-16(2,3)6-11(12)14/h8-9,11-12,14-15,17H,4-7H2,1-3H3
InChIKeyLKVGLKSHOUPBIP-UHFFFAOYSA-N
XLogP3.33
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethoxy-7,7-dimethyl-5,5a,6,8,8a,9-hexahydro-4H-azuleno[5,6-c]furan-9-ol with MolForge

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Related Compounds

(3aS,4R,6S,7R,7aS)-6,7-diethoxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-ol
CID 143930160
(1R,3S,5R,7S,8R,10S,12R,14S)-14-ethoxy-4,11,15-trioxatetracyclo[6.6.1.03,5.010,12]pentadecan-7-ol
CID 11043822
2-ethoxy-5,5-dimethyl-1,3-dioxane
CID 11137431
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CID 99942030
diethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate
CID 15814402
1-ethoxy-2,3-dihydro-1H-inden-2-ol
CID 12602279
(2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol
CID 11030343
(1S,2S)-2-ethoxycyclohept-4-en-1-ol
CID 54671938
6-ethoxy-2-methyloxane-3,4-diol
CID 20764116
2-ethoxycyclooctan-1-ol
CID 18953000
1-ethoxy-3,3-dimethyl-1,2-dihydroindene
CID 135037785
(4E)-2-ethoxy-4-ethylidenecyclohexan-1-ol
CID 118659504

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-7,7-dimethyl-5,5a,6,8,8a,9-hexahydro-4H-azuleno[5,6-c]furan-9-ol?
The IUPAC name of 5-ethoxy-7,7-dimethyl-5,5a,6,8,8a,9-hexahydro-4H-azuleno[5,6-c]furan-9-ol (CID 85288716) is 5-ethoxy-7,7-dimethyl-5,5a,6,8,8a,9-hexahydro-4H-azuleno[5,6-c]furan-9-ol.
What is the SMILES notation for 5-ethoxy-7,7-dimethyl-5,5a,6,8,8a,9-hexahydro-4H-azuleno[5,6-c]furan-9-ol?
The canonical SMILES for 5-ethoxy-7,7-dimethyl-5,5a,6,8,8a,9-hexahydro-4H-azuleno[5,6-c]furan-9-ol is CCOC1Cc2cocc2C(O)C2CC(C)(C)CC12.
What is the InChIKey of 5-ethoxy-7,7-dimethyl-5,5a,6,8,8a,9-hexahydro-4H-azuleno[5,6-c]furan-9-ol?
The InChIKey is LKVGLKSHOUPBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-4-19-14-5-10-8-18-9-13(10)15(17)12-7-16(2,3)6-11(12)14/h8-9,11-12,14-15,17H,4-7H2,1-3H3.
What are the key properties of 5-ethoxy-7,7-dimethyl-5,5a,6,8,8a,9-hexahydro-4H-azuleno[5,6-c]furan-9-ol?
5-ethoxy-7,7-dimethyl-5,5a,6,8,8a,9-hexahydro-4H-azuleno[5,6-c]furan-9-ol has a molecular weight of 264.37 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-7,7-dimethyl-5,5a,6,8,8a,9-hexahydro-4H-azuleno[5,6-c]furan-9-ol is sourced from PubChem (CID 85288716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).