2-(5,6-dimethyl-4-methylideneoxan-2-yl)acetaldehyde

C10H16O2 — CID 144518500

IUPAC2-(5,6-dimethyl-4-methylideneoxan-2-yl)acetaldehyde
SMILESC=C1CC(CC=O)OC(C)C1C
InChIInChI=1S/C10H16O2/c1-7-6-10(4-5-11)12-9(3)8(7)2/h5,8-10H,1,4,6H2,2-3H3
InChIKeyKDYZVDCGAXUPIX-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.95
Rot. Bonds2

About 2-(5,6-dimethyl-4-methylideneoxan-2-yl)acetaldehyde

2-(5,6-dimethyl-4-methylideneoxan-2-yl)acetaldehyde (PubChem CID 144518500) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(5,6-dimethyl-4-methylideneoxan-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5,6-dimethyl-4-methylideneoxan-2-yl)acetaldehyde
PubChem CID144518500
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-(5,6-dimethyl-4-methylideneoxan-2-yl)acetaldehyde
SMILESC=C1CC(CC=O)OC(C)C1C
InChIInChI=1S/C10H16O2/c1-7-6-10(4-5-11)12-9(3)8(7)2/h5,8-10H,1,4,6H2,2-3H3
InChIKeyKDYZVDCGAXUPIX-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,6R)-2-hex-5-enyl-3,6-dimethyloxan-4-one
CID 9794332
1-[(2S,3R,6S)-2-(2-methylpropyl)-6-prop-2-enyloxan-3-yl]ethanone
CID 101377745
1-[(2S,3R,6S)-2-hexyl-6-prop-2-enyloxan-3-yl]ethanone
CID 135067487
methyl 2-((2R,3R,5R,6S)-6-((R)-but-3-en-2-yl)-3,5-dimethyltetrahydro-2H-pyran-2-yl)acetate
CID 154731549
7-Epi-6,10-epoxybisabol-3-en-12-al
CID 91747466
11-Epi-6,10-epoxybisabol-3-en-12-al
CID 91747473
2-[(2R,3R,4S,5R,6R)-6-[(E)-1-iodoprop-1-en-2-yl]-3,4,5-trimethyloxan-2-yl]acetaldehyde
CID 57559040
1-(4,6-Dimethyloxan-2-yl)-3-methyldeca-3,4,5,6,7,8,9-heptaen-2-one
CID 88553324
5-(4-Methylidene-6-oxooxan-3-yl)pentanal
CID 89390571
3-[(2S,4R,6R)-4,6-dimethyl-5-methylideneoxan-2-yl]propanal
CID 122546522
3-[(4R,6R)-4,6-dimethyl-5-methylideneoxan-2-yl]propanal
CID 129136937
3-[(2S,4R,6R)-6-ethyl-4-methyl-5-methylideneoxan-2-yl]propanal
CID 129136938

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-4-methylideneoxan-2-yl)acetaldehyde?
The IUPAC name of 2-(5,6-dimethyl-4-methylideneoxan-2-yl)acetaldehyde (CID 144518500) is 2-(5,6-dimethyl-4-methylideneoxan-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5,6-dimethyl-4-methylideneoxan-2-yl)acetaldehyde?
The canonical SMILES for 2-(5,6-dimethyl-4-methylideneoxan-2-yl)acetaldehyde is C=C1CC(CC=O)OC(C)C1C.
What is the InChIKey of 2-(5,6-dimethyl-4-methylideneoxan-2-yl)acetaldehyde?
The InChIKey is KDYZVDCGAXUPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-6-10(4-5-11)12-9(3)8(7)2/h5,8-10H,1,4,6H2,2-3H3.
What are the key properties of 2-(5,6-dimethyl-4-methylideneoxan-2-yl)acetaldehyde?
2-(5,6-dimethyl-4-methylideneoxan-2-yl)acetaldehyde has a molecular weight of 168.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-4-methylideneoxan-2-yl)acetaldehyde is sourced from PubChem (CID 144518500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).