2-[(2R,6S)-6-methyloxan-2-yl]acetaldehyde

C8H14O2 — CID 14157801

IUPAC2-[(2R,6S)-6-methyloxan-2-yl]acetaldehyde
SMILESC[C@H]1CCC[C@H](CC=O)O1
InChIInChI=1S/C8H14O2/c1-7-3-2-4-8(10-7)5-6-9/h6-8H,2-5H2,1H3/t7-,8+/m0/s1
InChIKeyIOIZWFXKLPWYLT-JGVFFNPUSA-N
MW142.20 g/mol
LogP1.53
Rot. Bonds2

About 2-[(2R,6S)-6-methyloxan-2-yl]acetaldehyde

2-[(2R,6S)-6-methyloxan-2-yl]acetaldehyde (PubChem CID 14157801) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-[(2R,6S)-6-methyloxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2R,6S)-6-methyloxan-2-yl]acetaldehyde
PubChem CID14157801
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-[(2R,6S)-6-methyloxan-2-yl]acetaldehyde
SMILESC[C@H]1CCC[C@H](CC=O)O1
InChIInChI=1S/C8H14O2/c1-7-3-2-4-8(10-7)5-6-9/h6-8H,2-5H2,1H3/t7-,8+/m0/s1
InChIKeyIOIZWFXKLPWYLT-JGVFFNPUSA-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

1-(Oxan-2-yl)propan-2-one
CID 13641706
2-(Oxan-2-yl)acetaldehyde
CID 53799149
3-(Oxan-2-yl)propanal
CID 20317387
(3-Pentyloxiran-2-yl)acetaldehyde
CID 71328509
Ksovlvjecgrhsm-iucakerbsa-
CID 10534920
cis-2,6-Diethyltetrahydro-4h-pyran-4-one
CID 11309644
3-Methoxynonanal
CID 21420710
2-Ethyl-6-methyloxan-4-one
CID 14382741
3-Ethoxyhexadecanal
CID 57562394
Ethane;1-(oxan-2-yl)propan-2-one
CID 145213099
cis-Tetrahydro-2,6-dipropyl-4h-pyran-4-one
CID 12105210
2-[(2R,6R)-6-methyloxan-2-yl]acetaldehyde
CID 72375578

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-6-methyloxan-2-yl]acetaldehyde?
The IUPAC name of 2-[(2R,6S)-6-methyloxan-2-yl]acetaldehyde (CID 14157801) is 2-[(2R,6S)-6-methyloxan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2R,6S)-6-methyloxan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2R,6S)-6-methyloxan-2-yl]acetaldehyde is C[C@H]1CCC[C@H](CC=O)O1.
What is the InChIKey of 2-[(2R,6S)-6-methyloxan-2-yl]acetaldehyde?
The InChIKey is IOIZWFXKLPWYLT-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H14O2/c1-7-3-2-4-8(10-7)5-6-9/h6-8H,2-5H2,1H3/t7-,8+/m0/s1.
What are the key properties of 2-[(2R,6S)-6-methyloxan-2-yl]acetaldehyde?
2-[(2R,6S)-6-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-[(2R,6S)-6-methyloxan-2-yl]acetaldehyde is sourced from PubChem (CID 14157801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).