11,11-dimethyl-9,13-dioxadispiro[4.2.58.25]pentadecan-4-one

C15H24O3 — CID 134942059

IUPAC11,11-dimethyl-9,13-dioxadispiro[4.2.58.25]pentadecan-4-one
SMILESCC1(C)COC2(CCC3(CCCC3=O)CC2)OC1
InChIInChI=1S/C15H24O3/c1-13(2)10-17-15(18-11-13)8-6-14(7-9-15)5-3-4-12(14)16/h3-11H2,1-2H3
InChIKeyNSVWVYYVPXUDRT-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.07
Rot. Bonds

About 11,11-dimethyl-9,13-dioxadispiro[4.2.58.25]pentadecan-4-one

11,11-dimethyl-9,13-dioxadispiro[4.2.58.25]pentadecan-4-one (PubChem CID 134942059) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 11,11-dimethyl-9,13-dioxadispiro[4.2.58.25]pentadecan-4-one.

Molecular Properties

Compound Name11,11-dimethyl-9,13-dioxadispiro[4.2.58.25]pentadecan-4-one
PubChem CID134942059
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name11,11-dimethyl-9,13-dioxadispiro[4.2.58.25]pentadecan-4-one
SMILESCC1(C)COC2(CCC3(CCCC3=O)CC2)OC1
InChIInChI=1S/C15H24O3/c1-13(2)10-17-15(18-11-13)8-6-14(7-9-15)5-3-4-12(14)16/h3-11H2,1-2H3
InChIKeyNSVWVYYVPXUDRT-UHFFFAOYSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11,11-dimethyl-9,13-dioxadispiro[4.2.58.25]pentadecan-4-one with MolForge

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Related Compounds

(3R)-3-[2-(1,3-dioxan-2-yl)ethyl]-3-methylcyclohexan-1-one
CID 11229880
cis-(2S,3R)-3-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexan-1-one
CID 13918381
3-[2-(1,3-Dioxan-2-yl)ethyl]-3-methylcyclohexanone
CID 24977056
3,3-Dimethyl-2,4-dioxaspiro[5,5]undecan-9-one
CID 28286198
(3R)-3-[4-(1,3-dioxan-2-yl)butyl]-3-methylcyclopentan-1-one
CID 134963486
1,4-Dioxadispiro[4.2.48.25]tetradecan-9-one
CID 168354787
3,3,7,7-Tetramethyl-1,5-dioxaspiro[5.5]-undecan-8-one
CID 10889608
4-[(3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)methyl]cyclohexan-1-one
CID 20633975
4-(2,5,5-Trimethyl-[1,3]dioxan-2-yl)-cyclohexanone
CID 23147947
2-[1-(2,2-Dimethyl-1,3-dioxan-5-yl)cyclohexyl]acetaldehyde
CID 59715034
1-(8-Methyl-1,4-dioxaspiro[4.5]decan-8-yl)ethanone
CID 90364763
1-(8-Ethyl-1,4-dioxaspiro[4.5]decan-8-yl)ethanone
CID 118392145

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-9,13-dioxadispiro[4.2.58.25]pentadecan-4-one?
The IUPAC name of 11,11-dimethyl-9,13-dioxadispiro[4.2.58.25]pentadecan-4-one (CID 134942059) is 11,11-dimethyl-9,13-dioxadispiro[4.2.58.25]pentadecan-4-one.
What is the SMILES notation for 11,11-dimethyl-9,13-dioxadispiro[4.2.58.25]pentadecan-4-one?
The canonical SMILES for 11,11-dimethyl-9,13-dioxadispiro[4.2.58.25]pentadecan-4-one is CC1(C)COC2(CCC3(CCCC3=O)CC2)OC1.
What is the InChIKey of 11,11-dimethyl-9,13-dioxadispiro[4.2.58.25]pentadecan-4-one?
The InChIKey is NSVWVYYVPXUDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-13(2)10-17-15(18-11-13)8-6-14(7-9-15)5-3-4-12(14)16/h3-11H2,1-2H3.
What are the key properties of 11,11-dimethyl-9,13-dioxadispiro[4.2.58.25]pentadecan-4-one?
11,11-dimethyl-9,13-dioxadispiro[4.2.58.25]pentadecan-4-one has a molecular weight of 252.35 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-9,13-dioxadispiro[4.2.58.25]pentadecan-4-one is sourced from PubChem (CID 134942059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).