(5R)-5,7,7-trimethyl-4,5,6,8-tetrahydroazuleno[5,6-c]furan-1-one

C15H18O2 — CID 139586082

IUPAC(5R)-5,7,7-trimethyl-4,5,6,8-tetrahydroazuleno[5,6-c]furan-1-one
SMILESC[C@@H]1CC2=COC(=O)C2=CC2=C1CC(C)(C)C2
InChIInChI=1S/C15H18O2/c1-9-4-11-8-17-14(16)12(11)5-10-6-15(2,3)7-13(9)10/h5,8-9H,4,6-7H2,1-3H3/t9-/m1/s1
InChIKeyARXVQLVJQUHCDP-SECBINFHSA-N
MW230.31 g/mol
LogP3.51
Rot. Bonds

About (5R)-5,7,7-trimethyl-4,5,6,8-tetrahydroazuleno[5,6-c]furan-1-one

(5R)-5,7,7-trimethyl-4,5,6,8-tetrahydroazuleno[5,6-c]furan-1-one (PubChem CID 139586082) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (5R)-5,7,7-trimethyl-4,5,6,8-tetrahydroazuleno[5,6-c]furan-1-one.

Molecular Properties

Compound Name(5R)-5,7,7-trimethyl-4,5,6,8-tetrahydroazuleno[5,6-c]furan-1-one
PubChem CID139586082
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(5R)-5,7,7-trimethyl-4,5,6,8-tetrahydroazuleno[5,6-c]furan-1-one
SMILESC[C@@H]1CC2=COC(=O)C2=CC2=C1CC(C)(C)C2
InChIInChI=1S/C15H18O2/c1-9-4-11-8-17-14(16)12(11)5-10-6-15(2,3)7-13(9)10/h5,8-9H,4,6-7H2,1-3H3/t9-/m1/s1
InChIKeyARXVQLVJQUHCDP-SECBINFHSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5,7,7-trimethyl-4,5,6,8-tetrahydroazuleno[5,6-c]furan-1-one?
The IUPAC name of (5R)-5,7,7-trimethyl-4,5,6,8-tetrahydroazuleno[5,6-c]furan-1-one (CID 139586082) is (5R)-5,7,7-trimethyl-4,5,6,8-tetrahydroazuleno[5,6-c]furan-1-one.
What is the SMILES notation for (5R)-5,7,7-trimethyl-4,5,6,8-tetrahydroazuleno[5,6-c]furan-1-one?
The canonical SMILES for (5R)-5,7,7-trimethyl-4,5,6,8-tetrahydroazuleno[5,6-c]furan-1-one is C[C@@H]1CC2=COC(=O)C2=CC2=C1CC(C)(C)C2.
What is the InChIKey of (5R)-5,7,7-trimethyl-4,5,6,8-tetrahydroazuleno[5,6-c]furan-1-one?
The InChIKey is ARXVQLVJQUHCDP-SECBINFHSA-N. The full InChI is InChI=1S/C15H18O2/c1-9-4-11-8-17-14(16)12(11)5-10-6-15(2,3)7-13(9)10/h5,8-9H,4,6-7H2,1-3H3/t9-/m1/s1.
What are the key properties of (5R)-5,7,7-trimethyl-4,5,6,8-tetrahydroazuleno[5,6-c]furan-1-one?
(5R)-5,7,7-trimethyl-4,5,6,8-tetrahydroazuleno[5,6-c]furan-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5,7,7-trimethyl-4,5,6,8-tetrahydroazuleno[5,6-c]furan-1-one is sourced from PubChem (CID 139586082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).