4,7,7-trimethyl-5,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-4,9-diol

C15H22O3 — CID 163075025

IUPAC4,7,7-trimethyl-5,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-4,9-diol
SMILESCC1(C)CC2CC(C)(O)c3cocc3C(O)C2C1
InChIInChI=1S/C15H22O3/c1-14(2)4-9-5-15(3,17)12-8-18-7-11(12)13(16)10(9)6-14/h7-10,13,16-17H,4-6H2,1-3H3
InChIKeyDVUNYSPYMVWYHH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.98
Rot. Bonds

About 4,7,7-trimethyl-5,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-4,9-diol

4,7,7-trimethyl-5,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-4,9-diol (PubChem CID 163075025) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4,7,7-trimethyl-5,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-4,9-diol.

Molecular Properties

Compound Name4,7,7-trimethyl-5,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-4,9-diol
PubChem CID163075025
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name4,7,7-trimethyl-5,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-4,9-diol
SMILESCC1(C)CC2CC(C)(O)c3cocc3C(O)C2C1
InChIInChI=1S/C15H22O3/c1-14(2)4-9-5-15(3,17)12-8-18-7-11(12)13(16)10(9)6-14/h7-10,13,16-17H,4-6H2,1-3H3
InChIKeyDVUNYSPYMVWYHH-UHFFFAOYSA-N
XLogP2.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,7,7-trimethyl-5,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-4,9-diol with MolForge

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Related Compounds

(5S,5aR,8aS,9S)-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-5,9-diol
CID 129428969
5-ethoxy-7,7-dimethyl-5,5a,6,8,8a,9-hexahydro-4H-azuleno[5,6-c]furan-9-ol
CID 85288716
2,2-dimethyl-1-(4-methylfuran-3-yl)cyclobutan-1-ol
CID 131218909
3,3-dimethylcyclobutane-1,2-diol
CID 12791421
(6S,7R,15S,16R)-5,5,11,11,17,17-hexamethylpentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-6,7,15,16-tetrol
CID 122364843
7-methyl-5,6-dihydrocyclopenta[c]pyridine-5,7-diol
CID 85099612
3-bromo-4-(4,4-dimethylcyclohexyl)furan
CID 82380509
(1S,2R,4R)-2-(furan-3-yl)-5,8,8-trimethylbicyclo[2.2.2]oct-5-en-2-ol
CID 10421461
1,4,4-trimethyl-10-oxatetracyclo[6.4.1.02,6.011,13]tridecane-7,8,11,12-tetrol
CID 85223180
1,4,4-trimethyl-9-oxatricyclo[6.3.1.02,6]dodecane-7,8-diol
CID 163009179
(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)methanol
CID 115013484
5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole
CID 137374403

Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-5,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-4,9-diol?
The IUPAC name of 4,7,7-trimethyl-5,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-4,9-diol (CID 163075025) is 4,7,7-trimethyl-5,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-4,9-diol.
What is the SMILES notation for 4,7,7-trimethyl-5,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-4,9-diol?
The canonical SMILES for 4,7,7-trimethyl-5,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-4,9-diol is CC1(C)CC2CC(C)(O)c3cocc3C(O)C2C1.
What is the InChIKey of 4,7,7-trimethyl-5,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-4,9-diol?
The InChIKey is DVUNYSPYMVWYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-14(2)4-9-5-15(3,17)12-8-18-7-11(12)13(16)10(9)6-14/h7-10,13,16-17H,4-6H2,1-3H3.
What are the key properties of 4,7,7-trimethyl-5,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-4,9-diol?
4,7,7-trimethyl-5,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-4,9-diol has a molecular weight of 250.34 g/mol, XLogP of 2.98, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-5,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-4,9-diol is sourced from PubChem (CID 163075025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).