2-(2-methyloxan-2-yl)acetaldehyde

C8H14O2 — CID 165478002

IUPAC2-(2-methyloxan-2-yl)acetaldehyde
SMILESCC1(CC=O)CCCCO1
InChIInChI=1S/C8H14O2/c1-8(5-6-9)4-2-3-7-10-8/h6H,2-5,7H2,1H3
InChIKeyNCLJIHJUAHYABJ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.53
Rot. Bonds2

About 2-(2-methyloxan-2-yl)acetaldehyde

2-(2-methyloxan-2-yl)acetaldehyde (PubChem CID 165478002) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(2-methyloxan-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-methyloxan-2-yl)acetaldehyde
PubChem CID165478002
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-(2-methyloxan-2-yl)acetaldehyde
SMILESCC1(CC=O)CCCCO1
InChIInChI=1S/C8H14O2/c1-8(5-6-9)4-2-3-7-10-8/h6H,2-5,7H2,1H3
InChIKeyNCLJIHJUAHYABJ-UHFFFAOYSA-N
XLogP1.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6,6-trimethyloxan-2-yl)acetaldehyde
CID 88884784
2-(2-methyloxiran-2-yl)acetaldehyde
CID 14691612
2,2-difluoro-3-(2-methyloxan-2-yl)propan-1-ol
CID 162570891
2-butyl-2-methyloxane
CID 13494550
2-methyl-2-(2-methylprop-1-enoxymethyl)oxocane
CID 176603429
2-hexyl-2-methyloxane
CID 67835603
2-methyl-2-[(2-methyloxolan-2-yl)methoxymethyl]oxolane
CID 66639597
(2S)-2-methyl-2-(oxan-2-ylmethyl)oxane
CID 102007923
(2R)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolane
CID 11264913
2-(1-methylcyclopropyl)acetaldehyde
CID 13464501
2-(1-propan-2-ylcyclohexyl)acetaldehyde
CID 57205409
2-(1-trimethylstannylcyclohexyl)acetaldehyde
CID 14201354

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxan-2-yl)acetaldehyde?
The IUPAC name of 2-(2-methyloxan-2-yl)acetaldehyde (CID 165478002) is 2-(2-methyloxan-2-yl)acetaldehyde.
What is the SMILES notation for 2-(2-methyloxan-2-yl)acetaldehyde?
The canonical SMILES for 2-(2-methyloxan-2-yl)acetaldehyde is CC1(CC=O)CCCCO1.
What is the InChIKey of 2-(2-methyloxan-2-yl)acetaldehyde?
The InChIKey is NCLJIHJUAHYABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-8(5-6-9)4-2-3-7-10-8/h6H,2-5,7H2,1H3.
What are the key properties of 2-(2-methyloxan-2-yl)acetaldehyde?
2-(2-methyloxan-2-yl)acetaldehyde has a molecular weight of 142.20 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxan-2-yl)acetaldehyde is sourced from PubChem (CID 165478002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).