8-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6,10-dioxaspiro[4.5]decane-7,9-dione

C14H20O6 — CID 45101837

IUPAC8-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6,10-dioxaspiro[4.5]decane-7,9-dione
SMILESCC1(C)OC[C@H](CC2C(=O)OC3(CCCC3)OC2=O)O1
InChIInChI=1S/C14H20O6/c1-13(2)17-8-9(18-13)7-10-11(15)19-14(20-12(10)16)5-3-4-6-14/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyMTASTNZNPJSWJY-VIFPVBQESA-N
MW284.31 g/mol
LogP1.51
Rot. Bonds2

About 8-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6,10-dioxaspiro[4.5]decane-7,9-dione

8-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6,10-dioxaspiro[4.5]decane-7,9-dione (PubChem CID 45101837) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is 8-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6,10-dioxaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6,10-dioxaspiro[4.5]decane-7,9-dione
PubChem CID45101837
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name8-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6,10-dioxaspiro[4.5]decane-7,9-dione
SMILESCC1(C)OC[C@H](CC2C(=O)OC3(CCCC3)OC2=O)O1
InChIInChI=1S/C14H20O6/c1-13(2)17-8-9(18-13)7-10-11(15)19-14(20-12(10)16)5-3-4-6-14/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyMTASTNZNPJSWJY-VIFPVBQESA-N
XLogP1.51
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
(4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 123766397
(4S)-4-ethyl-2,2-dimethyl-1,3-dioxolane;3-methyloxolan-2-one
CID 143841960
(4S,6S)-4-[[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-[[(4S,6S)-6-[[(4S,6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane
CID 11585308
4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 11053597
2-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-yl)ethyl 2-methylprop-2-enoate
CID 118067437
(7aR)-7a-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,3,6,7-tetrahydroindene-1,5-dione
CID 45101834
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 1-methylcyclohexane-1-carboxylate
CID 54127614
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
CID 23541087
2,2-dimethyl-5-[(2-oxocyclohexyl)methyl]-1,3-dioxane-4,6-dione
CID 11139676
(2R)-2-ethyl-1,4-dioxaspiro[4.5]decan-3-one
CID 7559497

Frequently Asked Questions

What is the IUPAC name of 8-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6,10-dioxaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6,10-dioxaspiro[4.5]decane-7,9-dione (CID 45101837) is 8-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6,10-dioxaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6,10-dioxaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6,10-dioxaspiro[4.5]decane-7,9-dione is CC1(C)OC[C@H](CC2C(=O)OC3(CCCC3)OC2=O)O1.
What is the InChIKey of 8-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6,10-dioxaspiro[4.5]decane-7,9-dione?
The InChIKey is MTASTNZNPJSWJY-VIFPVBQESA-N. The full InChI is InChI=1S/C14H20O6/c1-13(2)17-8-9(18-13)7-10-11(15)19-14(20-12(10)16)5-3-4-6-14/h9-10H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of 8-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6,10-dioxaspiro[4.5]decane-7,9-dione?
8-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6,10-dioxaspiro[4.5]decane-7,9-dione has a molecular weight of 284.31 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6,10-dioxaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 45101837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).