(1R,3S,6S,8R,10R)-8-(hydroxymethyl)-2-methylidene-5,7-dioxatricyclo[4.3.1.03,10]decan-9-one

C10H12O4 — CID 10899552

IUPAC(1R,3S,6S,8R,10R)-8-(hydroxymethyl)-2-methylidene-5,7-dioxatricyclo[4.3.1.03,10]decan-9-one
SMILESC=C1[C@@H]2C(=O)[C@@H](CO)O[C@@H]3OC[C@H]1[C@@H]32
InChIInChI=1S/C10H12O4/c1-4-5-3-13-10-8(5)7(4)9(12)6(2-11)14-10/h5-8,10-11H,1-3H2/t5-,6-,7+,8-,10+/m1/s1
InChIKeyUDQXBNAUWLXJJT-GBMPTNJUSA-N
MW196.20 g/mol
LogP-0.28
Rot. Bonds1

About (1R,3S,6S,8R,10R)-8-(hydroxymethyl)-2-methylidene-5,7-dioxatricyclo[4.3.1.03,10]decan-9-one

(1R,3S,6S,8R,10R)-8-(hydroxymethyl)-2-methylidene-5,7-dioxatricyclo[4.3.1.03,10]decan-9-one (PubChem CID 10899552) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (1R,3S,6S,8R,10R)-8-(hydroxymethyl)-2-methylidene-5,7-dioxatricyclo[4.3.1.03,10]decan-9-one.

Molecular Properties

Compound Name(1R,3S,6S,8R,10R)-8-(hydroxymethyl)-2-methylidene-5,7-dioxatricyclo[4.3.1.03,10]decan-9-one
PubChem CID10899552
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(1R,3S,6S,8R,10R)-8-(hydroxymethyl)-2-methylidene-5,7-dioxatricyclo[4.3.1.03,10]decan-9-one
SMILESC=C1[C@@H]2C(=O)[C@@H](CO)O[C@@H]3OC[C@H]1[C@@H]32
InChIInChI=1S/C10H12O4/c1-4-5-3-13-10-8(5)7(4)9(12)6(2-11)14-10/h5-8,10-11H,1-3H2/t5-,6-,7+,8-,10+/m1/s1
InChIKeyUDQXBNAUWLXJJT-GBMPTNJUSA-N
XLogP-0.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,6S,8R,10R)-8-(hydroxymethyl)-2-methylidene-5,7-dioxatricyclo[4.3.1.03,10]decan-9-one?
The IUPAC name of (1R,3S,6S,8R,10R)-8-(hydroxymethyl)-2-methylidene-5,7-dioxatricyclo[4.3.1.03,10]decan-9-one (CID 10899552) is (1R,3S,6S,8R,10R)-8-(hydroxymethyl)-2-methylidene-5,7-dioxatricyclo[4.3.1.03,10]decan-9-one.
What is the SMILES notation for (1R,3S,6S,8R,10R)-8-(hydroxymethyl)-2-methylidene-5,7-dioxatricyclo[4.3.1.03,10]decan-9-one?
The canonical SMILES for (1R,3S,6S,8R,10R)-8-(hydroxymethyl)-2-methylidene-5,7-dioxatricyclo[4.3.1.03,10]decan-9-one is C=C1[C@@H]2C(=O)[C@@H](CO)O[C@@H]3OC[C@H]1[C@@H]32.
What is the InChIKey of (1R,3S,6S,8R,10R)-8-(hydroxymethyl)-2-methylidene-5,7-dioxatricyclo[4.3.1.03,10]decan-9-one?
The InChIKey is UDQXBNAUWLXJJT-GBMPTNJUSA-N. The full InChI is InChI=1S/C10H12O4/c1-4-5-3-13-10-8(5)7(4)9(12)6(2-11)14-10/h5-8,10-11H,1-3H2/t5-,6-,7+,8-,10+/m1/s1.
What are the key properties of (1R,3S,6S,8R,10R)-8-(hydroxymethyl)-2-methylidene-5,7-dioxatricyclo[4.3.1.03,10]decan-9-one?
(1R,3S,6S,8R,10R)-8-(hydroxymethyl)-2-methylidene-5,7-dioxatricyclo[4.3.1.03,10]decan-9-one has a molecular weight of 196.20 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,6S,8R,10R)-8-(hydroxymethyl)-2-methylidene-5,7-dioxatricyclo[4.3.1.03,10]decan-9-one is sourced from PubChem (CID 10899552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).