8-methyl-6,7,10-trioxaspiro[4.5]decane-8-carbaldehyde

C9H14O4 — CID 46210798

IUPAC8-methyl-6,7,10-trioxaspiro[4.5]decane-8-carbaldehyde
SMILESCC1(C=O)COC2(CCCC2)OO1
InChIInChI=1S/C9H14O4/c1-8(6-10)7-11-9(13-12-8)4-2-3-5-9/h6H,2-5,7H2,1H3
InChIKeyZPOWXVFRNPKUHO-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.19
Rot. Bonds1

About 8-methyl-6,7,10-trioxaspiro[4.5]decane-8-carbaldehyde

8-methyl-6,7,10-trioxaspiro[4.5]decane-8-carbaldehyde (PubChem CID 46210798) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 8-methyl-6,7,10-trioxaspiro[4.5]decane-8-carbaldehyde.

Molecular Properties

Compound Name8-methyl-6,7,10-trioxaspiro[4.5]decane-8-carbaldehyde
PubChem CID46210798
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name8-methyl-6,7,10-trioxaspiro[4.5]decane-8-carbaldehyde
SMILESCC1(C=O)COC2(CCCC2)OO1
InChIInChI=1S/C9H14O4/c1-8(6-10)7-11-9(13-12-8)4-2-3-5-9/h6H,2-5,7H2,1H3
InChIKeyZPOWXVFRNPKUHO-UHFFFAOYSA-N
XLogP1.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-hydroperoxy-3-methyl-1,2,5-trioxaspiro[5.5]undecane
CID 10560108
3-phenyl-1,2,5-trioxaspiro[5.11]heptadecane-3-carbaldehyde
CID 46210800
7-(benzenesulfonylmethyl)-7-methyl-5,6,9-trioxaspiro[3.5]nonane
CID 11716356
3-methyl-3-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)-1,2,4-trioxaspiro[4.5]decane
CID 10925067
5,10-dioxadispiro[2.2.36.23]undecane
CID 144959293
2-(8,15,16-trioxadispiro[5.2.59.26]hexadecan-3-yl)acetic acid
CID 56673834
3,3-dimethyl-1,2,5-trioxa-9-azaspiro[5.5]undecane
CID 86050095
3-[(4-chlorophenyl)sulfinylmethyl]-3-methyl-1,2,5-trioxaspiro[5.5]undecane
CID 46210646
(2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde
CID 89064448
7,8,10,11-tetraoxatrispiro[5.2.2.512.39.36]tricosane
CID 24939149
2-(2-methyloxan-2-yl)acetaldehyde
CID 165478002
2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde
CID 14635962

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6,7,10-trioxaspiro[4.5]decane-8-carbaldehyde?
The IUPAC name of 8-methyl-6,7,10-trioxaspiro[4.5]decane-8-carbaldehyde (CID 46210798) is 8-methyl-6,7,10-trioxaspiro[4.5]decane-8-carbaldehyde.
What is the SMILES notation for 8-methyl-6,7,10-trioxaspiro[4.5]decane-8-carbaldehyde?
The canonical SMILES for 8-methyl-6,7,10-trioxaspiro[4.5]decane-8-carbaldehyde is CC1(C=O)COC2(CCCC2)OO1.
What is the InChIKey of 8-methyl-6,7,10-trioxaspiro[4.5]decane-8-carbaldehyde?
The InChIKey is ZPOWXVFRNPKUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-8(6-10)7-11-9(13-12-8)4-2-3-5-9/h6H,2-5,7H2,1H3.
What are the key properties of 8-methyl-6,7,10-trioxaspiro[4.5]decane-8-carbaldehyde?
8-methyl-6,7,10-trioxaspiro[4.5]decane-8-carbaldehyde has a molecular weight of 186.21 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6,7,10-trioxaspiro[4.5]decane-8-carbaldehyde is sourced from PubChem (CID 46210798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).