3,3,4,4,5-pentamethyloxolane-2-carbaldehyde

C10H18O2 — CID 20584498

IUPAC3,3,4,4,5-pentamethyloxolane-2-carbaldehyde
SMILESCC1OC(C=O)C(C)(C)C1(C)C
InChIInChI=1S/C10H18O2/c1-7-9(2,3)10(4,5)8(6-11)12-7/h6-8H,1-5H3
InChIKeyVGEVSTPNWGKXDX-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.03
Rot. Bonds1

About 3,3,4,4,5-pentamethyloxolane-2-carbaldehyde

3,3,4,4,5-pentamethyloxolane-2-carbaldehyde (PubChem CID 20584498) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3,3,4,4,5-pentamethyloxolane-2-carbaldehyde.

Molecular Properties

Compound Name3,3,4,4,5-pentamethyloxolane-2-carbaldehyde
PubChem CID20584498
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3,3,4,4,5-pentamethyloxolane-2-carbaldehyde
SMILESCC1OC(C=O)C(C)(C)C1(C)C
InChIInChI=1S/C10H18O2/c1-7-9(2,3)10(4,5)8(6-11)12-7/h6-8H,1-5H3
InChIKeyVGEVSTPNWGKXDX-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5-pentamethyloxolane-2-carbaldehyde?
The IUPAC name of 3,3,4,4,5-pentamethyloxolane-2-carbaldehyde (CID 20584498) is 3,3,4,4,5-pentamethyloxolane-2-carbaldehyde.
What is the SMILES notation for 3,3,4,4,5-pentamethyloxolane-2-carbaldehyde?
The canonical SMILES for 3,3,4,4,5-pentamethyloxolane-2-carbaldehyde is CC1OC(C=O)C(C)(C)C1(C)C.
What is the InChIKey of 3,3,4,4,5-pentamethyloxolane-2-carbaldehyde?
The InChIKey is VGEVSTPNWGKXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-9(2,3)10(4,5)8(6-11)12-7/h6-8H,1-5H3.
What are the key properties of 3,3,4,4,5-pentamethyloxolane-2-carbaldehyde?
3,3,4,4,5-pentamethyloxolane-2-carbaldehyde has a molecular weight of 170.25 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5-pentamethyloxolane-2-carbaldehyde is sourced from PubChem (CID 20584498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).