(5R,9R)-9-(hydroxymethyl)-1,6-dioxaspiro[4.5]decan-9-ol

C9H16O4 — CID 15162522

IUPAC(5R,9R)-9-(hydroxymethyl)-1,6-dioxaspiro[4.5]decan-9-ol
SMILESOC[C@@]1(O)CCO[C@]2(CCCO2)C1
InChIInChI=1S/C9H16O4/c10-7-8(11)3-5-13-9(6-8)2-1-4-12-9/h10-11H,1-7H2/t8-,9-/m1/s1
InChIKeySUHQHJHTXIKMBZ-RKDXNWHRSA-N
MW188.22 g/mol
LogP0.03
Rot. Bonds1

About (5R,9R)-9-(hydroxymethyl)-1,6-dioxaspiro[4.5]decan-9-ol

(5R,9R)-9-(hydroxymethyl)-1,6-dioxaspiro[4.5]decan-9-ol (PubChem CID 15162522) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is (5R,9R)-9-(hydroxymethyl)-1,6-dioxaspiro[4.5]decan-9-ol.

Molecular Properties

Compound Name(5R,9R)-9-(hydroxymethyl)-1,6-dioxaspiro[4.5]decan-9-ol
PubChem CID15162522
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name(5R,9R)-9-(hydroxymethyl)-1,6-dioxaspiro[4.5]decan-9-ol
SMILESOC[C@@]1(O)CCO[C@]2(CCCO2)C1
InChIInChI=1S/C9H16O4/c10-7-8(11)3-5-13-9(6-8)2-1-4-12-9/h10-11H,1-7H2/t8-,9-/m1/s1
InChIKeySUHQHJHTXIKMBZ-RKDXNWHRSA-N
XLogP0.03
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,5S)-1,10-dioxaspiro[4.5]decan-2-yl]methanol
CID 13363042
2-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)ethanol
CID 121222293
(2S,4R,6R)-2-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 10058665
3,3-difluoro-1-(hydroxymethyl)cyclohexan-1-ol
CID 66602629
diethyl (6R)-1,7-dioxaspiro[5.5]undecane-4,4-dicarboxylate
CID 134998609
4,9-dioxaspiro[2.6]nonane
CID 68651979
3,9-diazaspiro[5.5]undecane;1,4-dioxaspiro[4.5]decane
CID 142351057
1,4-dioxaspiro[4.5]decane;ethane
CID 143191896
3-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]propan-1-ol
CID 155931444
(5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol
CID 130857690
1,6-dioxaspiro[4.5]decan-9-ol
CID 10975764
(2-propan-2-yloxolan-2-yl)methanol
CID 130663266

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-9-(hydroxymethyl)-1,6-dioxaspiro[4.5]decan-9-ol?
The IUPAC name of (5R,9R)-9-(hydroxymethyl)-1,6-dioxaspiro[4.5]decan-9-ol (CID 15162522) is (5R,9R)-9-(hydroxymethyl)-1,6-dioxaspiro[4.5]decan-9-ol.
What is the SMILES notation for (5R,9R)-9-(hydroxymethyl)-1,6-dioxaspiro[4.5]decan-9-ol?
The canonical SMILES for (5R,9R)-9-(hydroxymethyl)-1,6-dioxaspiro[4.5]decan-9-ol is OC[C@@]1(O)CCO[C@]2(CCCO2)C1.
What is the InChIKey of (5R,9R)-9-(hydroxymethyl)-1,6-dioxaspiro[4.5]decan-9-ol?
The InChIKey is SUHQHJHTXIKMBZ-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H16O4/c10-7-8(11)3-5-13-9(6-8)2-1-4-12-9/h10-11H,1-7H2/t8-,9-/m1/s1.
What are the key properties of (5R,9R)-9-(hydroxymethyl)-1,6-dioxaspiro[4.5]decan-9-ol?
(5R,9R)-9-(hydroxymethyl)-1,6-dioxaspiro[4.5]decan-9-ol has a molecular weight of 188.22 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-9-(hydroxymethyl)-1,6-dioxaspiro[4.5]decan-9-ol is sourced from PubChem (CID 15162522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).