10-hydroxy-6-methyl-3,7,12-trioxatricyclo[9.1.0.02,4]dodecan-8-one

C10H14O5 — CID 74333830

IUPAC10-hydroxy-6-methyl-3,7,12-trioxatricyclo[9.1.0.02,4]dodecan-8-one
SMILESCC1CC2OC2C2OC2C(O)CC(=O)O1
InChIInChI=1S/C10H14O5/c1-4-2-6-9(14-6)10-8(15-10)5(11)3-7(12)13-4/h4-6,8-11H,2-3H2,1H3
InChIKeyBVFFUSVHPGHUFQ-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.39
Rot. Bonds

About 10-hydroxy-6-methyl-3,7,12-trioxatricyclo[9.1.0.02,4]dodecan-8-one

10-hydroxy-6-methyl-3,7,12-trioxatricyclo[9.1.0.02,4]dodecan-8-one (PubChem CID 74333830) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 10-hydroxy-6-methyl-3,7,12-trioxatricyclo[9.1.0.02,4]dodecan-8-one.

Molecular Properties

Compound Name10-hydroxy-6-methyl-3,7,12-trioxatricyclo[9.1.0.02,4]dodecan-8-one
PubChem CID74333830
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name10-hydroxy-6-methyl-3,7,12-trioxatricyclo[9.1.0.02,4]dodecan-8-one
SMILESCC1CC2OC2C2OC2C(O)CC(=O)O1
InChIInChI=1S/C10H14O5/c1-4-2-6-9(14-6)10-8(15-10)5(11)3-7(12)13-4/h4-6,8-11H,2-3H2,1H3
InChIKeyBVFFUSVHPGHUFQ-UHFFFAOYSA-N
XLogP-0.39
TPSA71.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-6-methyl-3,7,12-trioxatricyclo[9.1.0.02,4]dodecan-8-one?
The IUPAC name of 10-hydroxy-6-methyl-3,7,12-trioxatricyclo[9.1.0.02,4]dodecan-8-one (CID 74333830) is 10-hydroxy-6-methyl-3,7,12-trioxatricyclo[9.1.0.02,4]dodecan-8-one.
What is the SMILES notation for 10-hydroxy-6-methyl-3,7,12-trioxatricyclo[9.1.0.02,4]dodecan-8-one?
The canonical SMILES for 10-hydroxy-6-methyl-3,7,12-trioxatricyclo[9.1.0.02,4]dodecan-8-one is CC1CC2OC2C2OC2C(O)CC(=O)O1.
What is the InChIKey of 10-hydroxy-6-methyl-3,7,12-trioxatricyclo[9.1.0.02,4]dodecan-8-one?
The InChIKey is BVFFUSVHPGHUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-4-2-6-9(14-6)10-8(15-10)5(11)3-7(12)13-4/h4-6,8-11H,2-3H2,1H3.
What are the key properties of 10-hydroxy-6-methyl-3,7,12-trioxatricyclo[9.1.0.02,4]dodecan-8-one?
10-hydroxy-6-methyl-3,7,12-trioxatricyclo[9.1.0.02,4]dodecan-8-one has a molecular weight of 214.22 g/mol, XLogP of -0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-6-methyl-3,7,12-trioxatricyclo[9.1.0.02,4]dodecan-8-one is sourced from PubChem (CID 74333830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).