2-methyl-5-(oxolan-2-yl)oxolane-2-carbaldehyde

C10H16O3 — CID 130584802

IUPAC2-methyl-5-(oxolan-2-yl)oxolane-2-carbaldehyde
SMILESCC1(C=O)CCC(C2CCCO2)O1
InChIInChI=1S/C10H16O3/c1-10(7-11)5-4-9(13-10)8-3-2-6-12-8/h7-9H,2-6H2,1H3
InChIKeyLBUSRWJDKLXTGJ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.30
Rot. Bonds2

About 2-methyl-5-(oxolan-2-yl)oxolane-2-carbaldehyde

2-methyl-5-(oxolan-2-yl)oxolane-2-carbaldehyde (PubChem CID 130584802) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-methyl-5-(oxolan-2-yl)oxolane-2-carbaldehyde.

Molecular Properties

Compound Name2-methyl-5-(oxolan-2-yl)oxolane-2-carbaldehyde
PubChem CID130584802
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-methyl-5-(oxolan-2-yl)oxolane-2-carbaldehyde
SMILESCC1(C=O)CCC(C2CCCO2)O1
InChIInChI=1S/C10H16O3/c1-10(7-11)5-4-9(13-10)8-3-2-6-12-8/h7-9H,2-6H2,1H3
InChIKeyLBUSRWJDKLXTGJ-UHFFFAOYSA-N
XLogP1.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-4-[(2S)-oxolan-2-yl]-1,3-dioxolane
CID 121404200
2-(oxiran-2-yl)oxolane
CID 18759351
2-(oxan-2-yl)-1,10-dioxaspiro[4.5]decane
CID 10443702
5-(methoxymethyl)-2-methyloxolane-2-carbaldehyde
CID 130584875
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane
CID 23848053
[(2'R,3'S,4aS,8aR)-2'-methyl-2'-trimethylsilylspiro[4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2,5'-oxolane]-3'-yl] acetate
CID 46211083
(1S,3S,8R,11S,13R,18S)-1-ethylsulfanyl-2,7,12,17-tetraoxatetracyclo[9.9.0.03,8.013,18]icosane
CID 134882497
3,3-dimethyl-6,7,8,8a-tetrahydro-4aH-pyrano[2,3-b][1,4]dioxin-2-one
CID 102506246
2,2-dimethyl-4-(oxolan-2-yl)-1,3-dioxolane;2-methoxypropan-2-ol
CID 143391198
3-(oxolan-2-yl)-2-azaspiro[3.3]heptane
CID 119031641
2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 101128418
3-(oxolan-2-yl)dioxolane
CID 22111450

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(oxolan-2-yl)oxolane-2-carbaldehyde?
The IUPAC name of 2-methyl-5-(oxolan-2-yl)oxolane-2-carbaldehyde (CID 130584802) is 2-methyl-5-(oxolan-2-yl)oxolane-2-carbaldehyde.
What is the SMILES notation for 2-methyl-5-(oxolan-2-yl)oxolane-2-carbaldehyde?
The canonical SMILES for 2-methyl-5-(oxolan-2-yl)oxolane-2-carbaldehyde is CC1(C=O)CCC(C2CCCO2)O1.
What is the InChIKey of 2-methyl-5-(oxolan-2-yl)oxolane-2-carbaldehyde?
The InChIKey is LBUSRWJDKLXTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-10(7-11)5-4-9(13-10)8-3-2-6-12-8/h7-9H,2-6H2,1H3.
What are the key properties of 2-methyl-5-(oxolan-2-yl)oxolane-2-carbaldehyde?
2-methyl-5-(oxolan-2-yl)oxolane-2-carbaldehyde has a molecular weight of 184.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxolan-2-yl)oxolane-2-carbaldehyde is sourced from PubChem (CID 130584802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).