(9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane

C10H18O4 — CID 124672672

IUPAC(9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane
SMILESCOCOC[C@@H]1CCCC12OCCO2
InChIInChI=1S/C10H18O4/c1-11-8-12-7-9-3-2-4-10(9)13-5-6-14-10/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyASEOJRFGOITWEX-VIFPVBQESA-N
MW202.25 g/mol
LogP1.15
Rot. Bonds4

About (9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane

(9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane (PubChem CID 124672672) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name(9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane
PubChem CID124672672
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane
SMILESCOCOC[C@@H]1CCCC12OCCO2
InChIInChI=1S/C10H18O4/c1-11-8-12-7-9-3-2-4-10(9)13-5-6-14-10/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyASEOJRFGOITWEX-VIFPVBQESA-N
XLogP1.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(5R,9S)-9-(methoxymethoxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 124672662
2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid
CID 98041281
3-(1,4-dioxaspiro[4.5]decan-6-yl)propanenitrile
CID 5240364
2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide
CID 121001643
spiro[1,3-dioxolane-2,2'-7-oxabicyclo[4.1.0]heptane]
CID 10953761
1-(1,4-dioxaspiro[4.4]nonan-9-yl)octan-3-one
CID 152746966
2-(methoxymethoxymethyl)cyclopentane-1,3-dione
CID 23560436
[3-(methoxymethoxymethyl)cyclohexyl]methanol
CID 58934142
2-(ethoxymethyl)-1,1-dimethylcyclopentane
CID 91066483
2-methoxy-2-[5-(methoxymethoxy)pentyl]oxolane
CID 11983660
1-(1,4-dioxaspiro[4.5]decan-6-ylmethyl)-4-methylpyridin-1-ium bromide
CID 10903555
(6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol
CID 130977943

Frequently Asked Questions

What is the IUPAC name of (9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of (9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane (CID 124672672) is (9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for (9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for (9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane is COCOC[C@@H]1CCCC12OCCO2.
What is the InChIKey of (9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane?
The InChIKey is ASEOJRFGOITWEX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18O4/c1-11-8-12-7-9-3-2-4-10(9)13-5-6-14-10/h9H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of (9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane?
(9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane has a molecular weight of 202.25 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 124672672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).