4-(1,4-dioxaspiro[4.6]undecan-8-yl)cyclohexan-1-one

C15H24O3 — CID 134271034

IUPAC4-(1,4-dioxaspiro[4.6]undecan-8-yl)cyclohexan-1-one
SMILESO=C1CCC(C2CCCC3(CC2)OCCO3)CC1
InChIInChI=1S/C15H24O3/c16-14-5-3-13(4-6-14)12-2-1-8-15(9-7-12)17-10-11-18-15/h12-13H,1-11H2
InChIKeyZHRMQWPHXDLICS-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.07
Rot. Bonds1

About 4-(1,4-dioxaspiro[4.6]undecan-8-yl)cyclohexan-1-one

4-(1,4-dioxaspiro[4.6]undecan-8-yl)cyclohexan-1-one (PubChem CID 134271034) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 4-(1,4-dioxaspiro[4.6]undecan-8-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(1,4-dioxaspiro[4.6]undecan-8-yl)cyclohexan-1-one
PubChem CID134271034
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name4-(1,4-dioxaspiro[4.6]undecan-8-yl)cyclohexan-1-one
SMILESO=C1CCC(C2CCCC3(CC2)OCCO3)CC1
InChIInChI=1S/C15H24O3/c16-14-5-3-13(4-6-14)12-2-1-8-15(9-7-12)17-10-11-18-15/h12-13H,1-11H2
InChIKeyZHRMQWPHXDLICS-UHFFFAOYSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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

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Related Compounds

4-(1,4-Dioxa-spiro(4.5)dec-8-yl)-cyclohexanone
CID 810913
2-[2-(1,3-Dioxolan-2-yl)ethyl]cyclohexanone
CID 10774339
9-(2-Oxopropyl)-1,4-dioxaspiro[4.6]undecan-8-one
CID 135041201
4-(1,4-Dioxaspiro[4.5]decan-8-yl)-1,1,1-trifluorohexan-2-one
CID 58562505
9-Methyl-1,4-dioxaspiro[4.6]undecan-8-one
CID 12850524
3-[2-(1,3-Dioxolan-2-yl)ethyl]cyclohexanone
CID 11183218
3-[3-(1,3-Dioxolan-2-yl)propyl]cycloheptan-1-one
CID 13029105
2-(2-Methyl-1,3-dioxolan-2-yl)cyclohexanone
CID 13112445
(3aR,8aS)-spiro[1,3,3a,4,5,7,8,8a-octahydroazulene-6,2'-1,3-dioxolane]-2-one
CID 71681758
1-[(9R)-9-methyl-1,4-dioxaspiro[4.5]decan-6-yl]ethanone
CID 134890133
trans-(2S,5R)-2-fluoro-2-methyl-5-(2,2,4-trimethyl-1,3-dioxolan-4-yl)cyclohexan-1-one
CID 11379554
trans-(2S,5R)-2-fluoro-2-methyl-5-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]cyclohexan-1-one
CID 101365021

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxaspiro[4.6]undecan-8-yl)cyclohexan-1-one?
The IUPAC name of 4-(1,4-dioxaspiro[4.6]undecan-8-yl)cyclohexan-1-one (CID 134271034) is 4-(1,4-dioxaspiro[4.6]undecan-8-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(1,4-dioxaspiro[4.6]undecan-8-yl)cyclohexan-1-one?
The canonical SMILES for 4-(1,4-dioxaspiro[4.6]undecan-8-yl)cyclohexan-1-one is O=C1CCC(C2CCCC3(CC2)OCCO3)CC1.
What is the InChIKey of 4-(1,4-dioxaspiro[4.6]undecan-8-yl)cyclohexan-1-one?
The InChIKey is ZHRMQWPHXDLICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c16-14-5-3-13(4-6-14)12-2-1-8-15(9-7-12)17-10-11-18-15/h12-13H,1-11H2.
What are the key properties of 4-(1,4-dioxaspiro[4.6]undecan-8-yl)cyclohexan-1-one?
4-(1,4-dioxaspiro[4.6]undecan-8-yl)cyclohexan-1-one has a molecular weight of 252.35 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxaspiro[4.6]undecan-8-yl)cyclohexan-1-one is sourced from PubChem (CID 134271034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).