10-hydroxy-12-methyl-oxacyclododecane-2,5-dione

C12H20O4 — CID 74371640

IUPAC10-hydroxy-12-methyl-oxacyclododecane-2,5-dione
SMILESCC1CC(O)CCCCC(=O)CCC(=O)O1
InChIInChI=1S/C12H20O4/c1-9-8-11(14)5-3-2-4-10(13)6-7-12(15)16-9/h9,11,14H,2-8H2,1H3
InChIKeySJESPTPLVNJOCS-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.59
Rot. Bonds

About 10-hydroxy-12-methyl-oxacyclododecane-2,5-dione

10-hydroxy-12-methyl-oxacyclododecane-2,5-dione (PubChem CID 74371640) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 10-hydroxy-12-methyl-oxacyclododecane-2,5-dione.

Molecular Properties

Compound Name10-hydroxy-12-methyl-oxacyclododecane-2,5-dione
PubChem CID74371640
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name10-hydroxy-12-methyl-oxacyclododecane-2,5-dione
SMILESCC1CC(O)CCCCC(=O)CCC(=O)O1
InChIInChI=1S/C12H20O4/c1-9-8-11(14)5-3-2-4-10(13)6-7-12(15)16-9/h9,11,14H,2-8H2,1H3
InChIKeySJESPTPLVNJOCS-UHFFFAOYSA-N
XLogP1.59
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(10S,12R)-10-hydroxy-12-methyl-oxacyclododecane-2,5-dione
CID 24951303
7-hydroxycyclododecan-1-one
CID 130125137
6-hydroxycyclododecan-1-one
CID 130125140
(16R)-16-methyl-oxacyclohexadecan-2-one
CID 10978020
(15S)-15-methyl-oxacyclopentadecan-2-one
CID 86278289
(14R)-14-methyl-oxacyclotetradecan-2-one
CID 11009676
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;8-hydroxy-10-methyloxecan-2-one;propan-1-ol
CID 145114962
(4R,6R)-6,14-dihydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one
CID 162912010
trans-(4S,14S)-4-hydroxy-14-methyl-oxacyclotetradecan-2-one
CID 10377093
4-hydroxycyclododecan-1-one
CID 13130165
4-hydroxy-8-methyloxocan-2-one
CID 78385790
(2R,4S,5E,7S)-4,7-dihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 24770096

Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-12-methyl-oxacyclododecane-2,5-dione?
The IUPAC name of 10-hydroxy-12-methyl-oxacyclododecane-2,5-dione (CID 74371640) is 10-hydroxy-12-methyl-oxacyclododecane-2,5-dione.
What is the SMILES notation for 10-hydroxy-12-methyl-oxacyclododecane-2,5-dione?
The canonical SMILES for 10-hydroxy-12-methyl-oxacyclododecane-2,5-dione is CC1CC(O)CCCCC(=O)CCC(=O)O1.
What is the InChIKey of 10-hydroxy-12-methyl-oxacyclododecane-2,5-dione?
The InChIKey is SJESPTPLVNJOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-9-8-11(14)5-3-2-4-10(13)6-7-12(15)16-9/h9,11,14H,2-8H2,1H3.
What are the key properties of 10-hydroxy-12-methyl-oxacyclododecane-2,5-dione?
10-hydroxy-12-methyl-oxacyclododecane-2,5-dione has a molecular weight of 228.29 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-12-methyl-oxacyclododecane-2,5-dione is sourced from PubChem (CID 74371640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).