(2S,3S,5S)-2-propan-2-yl-1,6-dioxaspiro[4.4]nonan-3-ol

C10H18O3 — CID 130917673

IUPAC(2S,3S,5S)-2-propan-2-yl-1,6-dioxaspiro[4.4]nonan-3-ol
SMILESCC(C)[C@@H]1O[C@@]2(CCCO2)C[C@@H]1O
InChIInChI=1S/C10H18O3/c1-7(2)9-8(11)6-10(13-9)4-3-5-12-10/h7-9,11H,3-6H2,1-2H3/t8-,9-,10-/m0/s1
InChIKeyAJUWSWBSMQSWBB-GUBZILKMSA-N
MW186.25 g/mol
LogP1.30
Rot. Bonds1

About (2S,3S,5S)-2-propan-2-yl-1,6-dioxaspiro[4.4]nonan-3-ol

(2S,3S,5S)-2-propan-2-yl-1,6-dioxaspiro[4.4]nonan-3-ol (PubChem CID 130917673) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S,3S,5S)-2-propan-2-yl-1,6-dioxaspiro[4.4]nonan-3-ol.

Molecular Properties

Compound Name(2S,3S,5S)-2-propan-2-yl-1,6-dioxaspiro[4.4]nonan-3-ol
PubChem CID130917673
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2S,3S,5S)-2-propan-2-yl-1,6-dioxaspiro[4.4]nonan-3-ol
SMILESCC(C)[C@@H]1O[C@@]2(CCCO2)C[C@@H]1O
InChIInChI=1S/C10H18O3/c1-7(2)9-8(11)6-10(13-9)4-3-5-12-10/h7-9,11H,3-6H2,1-2H3/t8-,9-,10-/m0/s1
InChIKeyAJUWSWBSMQSWBB-GUBZILKMSA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2,3-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane;methane
CID 162111280
2-(2,4-dimethylpentan-2-yl)-1,8-dioxaspiro[3.4]octane
CID 91407025
1,6-dioxaspiro[4.5]decan-9-ol
CID 10975764
(5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol
CID 130857690
9-propan-2-yl-1,5-dioxaspiro[5.5]undecane
CID 6455055
1,10-dioxaspiro[4.5]decan-2-ol
CID 130129338
(2S,4R,6R)-2-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 10058665
1,7-dioxaspiro[5.5]undec-2-en-4-ol
CID 14263737
1,4-dioxaspiro[4.5]decane;ethane
CID 143191896
(5S)-2,2-dimethyl-3-prop-1-en-2-yl-1,6-dioxaspiro[4.4]nonane
CID 170034689
(7S,8R)-8-tert-butyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 121001600
(2R)-2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanoic acid
CID 131191391

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S)-2-propan-2-yl-1,6-dioxaspiro[4.4]nonan-3-ol?
The IUPAC name of (2S,3S,5S)-2-propan-2-yl-1,6-dioxaspiro[4.4]nonan-3-ol (CID 130917673) is (2S,3S,5S)-2-propan-2-yl-1,6-dioxaspiro[4.4]nonan-3-ol.
What is the SMILES notation for (2S,3S,5S)-2-propan-2-yl-1,6-dioxaspiro[4.4]nonan-3-ol?
The canonical SMILES for (2S,3S,5S)-2-propan-2-yl-1,6-dioxaspiro[4.4]nonan-3-ol is CC(C)[C@@H]1O[C@@]2(CCCO2)C[C@@H]1O.
What is the InChIKey of (2S,3S,5S)-2-propan-2-yl-1,6-dioxaspiro[4.4]nonan-3-ol?
The InChIKey is AJUWSWBSMQSWBB-GUBZILKMSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(2)9-8(11)6-10(13-9)4-3-5-12-10/h7-9,11H,3-6H2,1-2H3/t8-,9-,10-/m0/s1.
What are the key properties of (2S,3S,5S)-2-propan-2-yl-1,6-dioxaspiro[4.4]nonan-3-ol?
(2S,3S,5S)-2-propan-2-yl-1,6-dioxaspiro[4.4]nonan-3-ol has a molecular weight of 186.25 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-2-propan-2-yl-1,6-dioxaspiro[4.4]nonan-3-ol is sourced from PubChem (CID 130917673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).