(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-ol

C13H24O3 — CID 10353745

IUPAC(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-ol
SMILESCCCC[C@H](O)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C13H24O3/c1-2-3-7-11(14)12-10-15-13(16-12)8-5-4-6-9-13/h11-12,14H,2-10H2,1H3/t11-,12+/m0/s1
InChIKeyMFFKJHMTZNCXEB-NWDGAFQWSA-N
MW228.33 g/mol
LogP2.61
Rot. Bonds4

About (1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-ol

(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-ol (PubChem CID 10353745) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-ol
PubChem CID10353745
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-ol
SMILESCCCC[C@H](O)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C13H24O3/c1-2-3-7-11(14)12-10-15-13(16-12)8-5-4-6-9-13/h11-12,14H,2-10H2,1H3/t11-,12+/m0/s1
InChIKeyMFFKJHMTZNCXEB-NWDGAFQWSA-N
XLogP2.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]pentadecan-1-ol
CID 100962398
(1S)-1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]heptan-1-ol
CID 100962399
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol
CID 71567298
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-1-ol
CID 11447934
1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-1-ol
CID 13483391
1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-phenylethanol
CID 22856131
1-[[(S)-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-hydroxymethyl]-(1-hydroxypropyl)phosphoryl]propan-1-ol
CID 102046626
ethyl (E,3R)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]non-4-enoate
CID 24807006
(2S)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2-hydroxyacetonitrile
CID 101092825
1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexyl benzoate
CID 139247490
(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-iodoprop-2-en-1-ol
CID 23656042
(1R)-1-[(2S,5R)-5-[(1S)-1-hydroxypentyl]oxolan-2-yl]pentan-1-ol
CID 101238341

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-ol?
The IUPAC name of (1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-ol (CID 10353745) is (1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-ol.
What is the SMILES notation for (1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-ol?
The canonical SMILES for (1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-ol is CCCC[C@H](O)[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of (1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-ol?
The InChIKey is MFFKJHMTZNCXEB-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H24O3/c1-2-3-7-11(14)12-10-15-13(16-12)8-5-4-6-9-13/h11-12,14H,2-10H2,1H3/t11-,12+/m0/s1.
What are the key properties of (1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-ol?
(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-ol has a molecular weight of 228.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-ol is sourced from PubChem (CID 10353745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).