(4R)-3,9-dioxaspiro[5.5]undecan-4-ol

C9H16O3 — CID 129389341

IUPAC(4R)-3,9-dioxaspiro[5.5]undecan-4-ol
SMILESO[C@H]1CC2(CCOCC2)CCO1
InChIInChI=1S/C9H16O3/c10-8-7-9(3-6-12-8)1-4-11-5-2-9/h8,10H,1-7H2/t8-/m1/s1
InChIKeyLEWONNGJAQPLKH-MRVPVSSYSA-N
MW172.22 g/mol
LogP0.91
Rot. Bonds

About (4R)-3,9-dioxaspiro[5.5]undecan-4-ol

(4R)-3,9-dioxaspiro[5.5]undecan-4-ol (PubChem CID 129389341) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (4R)-3,9-dioxaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name(4R)-3,9-dioxaspiro[5.5]undecan-4-ol
PubChem CID129389341
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(4R)-3,9-dioxaspiro[5.5]undecan-4-ol
SMILESO[C@H]1CC2(CCOCC2)CCO1
InChIInChI=1S/C9H16O3/c10-8-7-9(3-6-12-8)1-4-11-5-2-9/h8,10H,1-7H2/t8-/m1/s1
InChIKeyLEWONNGJAQPLKH-MRVPVSSYSA-N
XLogP0.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-3,9-dioxaspiro[5.5]undecan-4-ol?
The IUPAC name of (4R)-3,9-dioxaspiro[5.5]undecan-4-ol (CID 129389341) is (4R)-3,9-dioxaspiro[5.5]undecan-4-ol.
What is the SMILES notation for (4R)-3,9-dioxaspiro[5.5]undecan-4-ol?
The canonical SMILES for (4R)-3,9-dioxaspiro[5.5]undecan-4-ol is O[C@H]1CC2(CCOCC2)CCO1.
What is the InChIKey of (4R)-3,9-dioxaspiro[5.5]undecan-4-ol?
The InChIKey is LEWONNGJAQPLKH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16O3/c10-8-7-9(3-6-12-8)1-4-11-5-2-9/h8,10H,1-7H2/t8-/m1/s1.
What are the key properties of (4R)-3,9-dioxaspiro[5.5]undecan-4-ol?
(4R)-3,9-dioxaspiro[5.5]undecan-4-ol has a molecular weight of 172.22 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,9-dioxaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 129389341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).