4-hydroxy-3,3-dimethyl-1-oxa-4-azacyclododecan-12-one

C12H23NO3 — CID 145473671

IUPAC4-hydroxy-3,3-dimethyl-1-oxa-4-azacyclododecan-12-one
SMILESCC1(C)COC(=O)CCCCCCCN1O
InChIInChI=1S/C12H23NO3/c1-12(2)10-16-11(14)8-6-4-3-5-7-9-13(12)15/h15H,3-10H2,1-2H3
InChIKeyNBGGNVYELWNADC-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.35
Rot. Bonds

About 4-hydroxy-3,3-dimethyl-1-oxa-4-azacyclododecan-12-one

4-hydroxy-3,3-dimethyl-1-oxa-4-azacyclododecan-12-one (PubChem CID 145473671) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-hydroxy-3,3-dimethyl-1-oxa-4-azacyclododecan-12-one.

Molecular Properties

Compound Name4-hydroxy-3,3-dimethyl-1-oxa-4-azacyclododecan-12-one
PubChem CID145473671
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-hydroxy-3,3-dimethyl-1-oxa-4-azacyclododecan-12-one
SMILESCC1(C)COC(=O)CCCCCCCN1O
InChIInChI=1S/C12H23NO3/c1-12(2)10-16-11(14)8-6-4-3-5-7-9-13(12)15/h15H,3-10H2,1-2H3
InChIKeyNBGGNVYELWNADC-UHFFFAOYSA-N
XLogP2.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1,5-dioxacyclohexadecane-6,16-dione
CID 70605767
3,3,12,12-tetramethyl-1,5,10,14-tetraoxacyclooctadecane-6,9,15,18-tetrone
CID 604363
1,3-dioxacyclopentadecane-4,15-dione
CID 54430729
1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone
CID 12581605
5-(hydroxymethyl)-5-methyloxan-2-one
CID 172868556
1,6-dioxacyclotridecane-7,13-dione
CID 70450916
1,11-dioxacycloicosane-2,12-dione
CID 15642894
1,8-dioxacyclopentadecane-2,7-dione
CID 172688052
(3R,4R,5R,10S)-3-hydroxy-4,10-dimethoxy-3,5,6-trimethyl-1-oxa-6-azacyclopentadecan-15-one
CID 71206836
18,18-dimethyl-1,4-dioxacyclooctadecan-5-one
CID 118518691
1,6-dioxacyclopentadecane-7,15-dione;1,6-dioxecane-2,5-dione
CID 175398471
(2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione
CID 7075077

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,3-dimethyl-1-oxa-4-azacyclododecan-12-one?
The IUPAC name of 4-hydroxy-3,3-dimethyl-1-oxa-4-azacyclododecan-12-one (CID 145473671) is 4-hydroxy-3,3-dimethyl-1-oxa-4-azacyclododecan-12-one.
What is the SMILES notation for 4-hydroxy-3,3-dimethyl-1-oxa-4-azacyclododecan-12-one?
The canonical SMILES for 4-hydroxy-3,3-dimethyl-1-oxa-4-azacyclododecan-12-one is CC1(C)COC(=O)CCCCCCCN1O.
What is the InChIKey of 4-hydroxy-3,3-dimethyl-1-oxa-4-azacyclododecan-12-one?
The InChIKey is NBGGNVYELWNADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2)10-16-11(14)8-6-4-3-5-7-9-13(12)15/h15H,3-10H2,1-2H3.
What are the key properties of 4-hydroxy-3,3-dimethyl-1-oxa-4-azacyclododecan-12-one?
4-hydroxy-3,3-dimethyl-1-oxa-4-azacyclododecan-12-one has a molecular weight of 229.32 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,3-dimethyl-1-oxa-4-azacyclododecan-12-one is sourced from PubChem (CID 145473671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).