ethane;oxolane-2-carbaldehyde

C9H20O2 — CID 142055620

IUPACethane;oxolane-2-carbaldehyde
SMILESCC.CC.O=CC1CCCO1
InChIInChI=1S/C5H8O2.2C2H6/c6-4-5-2-1-3-7-5;2*1-2/h4-5H,1-3H2;2*1-2H3
InChIKeyZWAOZMCGMBYKFG-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.42
Rot. Bonds1

About ethane;oxolane-2-carbaldehyde

ethane;oxolane-2-carbaldehyde (PubChem CID 142055620) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is ethane;oxolane-2-carbaldehyde.

Molecular Properties

Compound Nameethane;oxolane-2-carbaldehyde
PubChem CID142055620
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Nameethane;oxolane-2-carbaldehyde
SMILESCC.CC.O=CC1CCCO1
InChIInChI=1S/C5H8O2.2C2H6/c6-4-5-2-1-3-7-5;2*1-2/h4-5H,1-3H2;2*1-2H3
InChIKeyZWAOZMCGMBYKFG-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.42
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

(2R)-oxane-2-carbaldehyde
CID 12648700
2-[(E)-prop-1-enyl]oxolane
CID 12508233
2-(2-methylprop-1-enyl)oxolane
CID 12735917
CID 101368257
CID 101368257
1,4-oxazepane-7-carbaldehyde
CID 152939152
2-[(E)-3-bromoprop-1-enyl]oxolane
CID 82840033
(E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid
CID 124523017
(2S)-2-[(E)-2-nitroethenyl]oxolane
CID 124585776
2-[(Z)-pent-1-enyl]oxolane
CID 11083976
1,2-dioxacyclododecane-3-carbaldehyde
CID 91802792
ethane;formaldehyde;2-methyloxolane
CID 145378358
triethyl-[(E)-2-(oxolan-2-yl)ethenyl]silane
CID 56850320

Frequently Asked Questions

What is the IUPAC name of ethane;oxolane-2-carbaldehyde?
The IUPAC name of ethane;oxolane-2-carbaldehyde (CID 142055620) is ethane;oxolane-2-carbaldehyde.
What is the SMILES notation for ethane;oxolane-2-carbaldehyde?
The canonical SMILES for ethane;oxolane-2-carbaldehyde is CC.CC.O=CC1CCCO1.
What is the InChIKey of ethane;oxolane-2-carbaldehyde?
The InChIKey is ZWAOZMCGMBYKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.2C2H6/c6-4-5-2-1-3-7-5;2*1-2/h4-5H,1-3H2;2*1-2H3.
What are the key properties of ethane;oxolane-2-carbaldehyde?
ethane;oxolane-2-carbaldehyde has a molecular weight of 160.26 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;oxolane-2-carbaldehyde is sourced from PubChem (CID 142055620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).