10-methyl-1,4,11-trioxaspiro[4.9]tetradecane-7,12-dione

C12H18O5 — CID 11021069

IUPAC10-methyl-1,4,11-trioxaspiro[4.9]tetradecane-7,12-dione
SMILESCC1CCC(=O)CC2(CCC(=O)O1)OCCO2
InChIInChI=1S/C12H18O5/c1-9-2-3-10(13)8-12(15-6-7-16-12)5-4-11(14)17-9/h9H,2-8H2,1H3
InChIKeyHOTHWHJOXXKSFO-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.19
Rot. Bonds

About 10-methyl-1,4,11-trioxaspiro[4.9]tetradecane-7,12-dione

10-methyl-1,4,11-trioxaspiro[4.9]tetradecane-7,12-dione (PubChem CID 11021069) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is 10-methyl-1,4,11-trioxaspiro[4.9]tetradecane-7,12-dione.

Molecular Properties

Compound Name10-methyl-1,4,11-trioxaspiro[4.9]tetradecane-7,12-dione
PubChem CID11021069
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name10-methyl-1,4,11-trioxaspiro[4.9]tetradecane-7,12-dione
SMILESCC1CCC(=O)CC2(CCC(=O)O1)OCCO2
InChIInChI=1S/C12H18O5/c1-9-2-3-10(13)8-12(15-6-7-16-12)5-4-11(14)17-9/h9H,2-8H2,1H3
InChIKeyHOTHWHJOXXKSFO-UHFFFAOYSA-N
XLogP1.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Cylindrolactone B
CID 146684068
1,3-Dioxolane-2,2-dipropanoic acid, diethyl ester
CID 285696
8a-Methoxy-3,3a,5,6,7,8-hexahydrofuro[3,2-b]oxepin-2-one
CID 11769237
3-Octanoyloxy-4-butanolide
CID 14574411
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl Octanoate
CID 11230661
1,3-Dioxolane-2,2-dipropanoic acid, dimethyl ester
CID 594346
(11R)-11-methyl-1,4,12-trioxaspiro[4.9]tetradecan-13-one
CID 11096365
Methyl 6-(2-methyl-1,3-dioxolan-2-yl)-3-oxohexanoate
CID 11447557
(S)-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl octanoate
CID 121225616
1,3-Dioxolane-2-hexanoic acid, 2-methyl-, ethyl ester
CID 560060
ethyl 9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]nonanoate
CID 10755658
1-(2,2-Dimethyl-1,3-dioxolan-4-yl)nonadecan-2-one
CID 10905066

Frequently Asked Questions

What is the IUPAC name of 10-methyl-1,4,11-trioxaspiro[4.9]tetradecane-7,12-dione?
The IUPAC name of 10-methyl-1,4,11-trioxaspiro[4.9]tetradecane-7,12-dione (CID 11021069) is 10-methyl-1,4,11-trioxaspiro[4.9]tetradecane-7,12-dione.
What is the SMILES notation for 10-methyl-1,4,11-trioxaspiro[4.9]tetradecane-7,12-dione?
The canonical SMILES for 10-methyl-1,4,11-trioxaspiro[4.9]tetradecane-7,12-dione is CC1CCC(=O)CC2(CCC(=O)O1)OCCO2.
What is the InChIKey of 10-methyl-1,4,11-trioxaspiro[4.9]tetradecane-7,12-dione?
The InChIKey is HOTHWHJOXXKSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-9-2-3-10(13)8-12(15-6-7-16-12)5-4-11(14)17-9/h9H,2-8H2,1H3.
What are the key properties of 10-methyl-1,4,11-trioxaspiro[4.9]tetradecane-7,12-dione?
10-methyl-1,4,11-trioxaspiro[4.9]tetradecane-7,12-dione has a molecular weight of 242.27 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-1,4,11-trioxaspiro[4.9]tetradecane-7,12-dione is sourced from PubChem (CID 11021069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).