(5E)-5-(1-deuterioethylidene)-2,2-dimethyloxolane

C8H14O — CID 135038709

IUPAC(5E)-5-(1-deuterioethylidene)-2,2-dimethyloxolane
SMILES[2H]/C(C)=C1/CCC(C)(C)O1
InChIInChI=1S/C8H14O/c1-4-7-5-6-8(2,3)9-7/h4H,5-6H2,1-3H3/b7-4+/i4D
InChIKeyGABBGMRRKDRXNK-FVVHZDMLSA-N
MW127.21 g/mol
LogP2.48
Rot. Bonds

About (5E)-5-(1-deuterioethylidene)-2,2-dimethyloxolane

(5E)-5-(1-deuterioethylidene)-2,2-dimethyloxolane (PubChem CID 135038709) has the molecular formula C8H14O and a molecular weight of 127.21 g/mol. Its IUPAC name is (5E)-5-(1-deuterioethylidene)-2,2-dimethyloxolane.

Molecular Properties

Compound Name(5E)-5-(1-deuterioethylidene)-2,2-dimethyloxolane
PubChem CID135038709
Molecular FormulaC8H14O
Molecular Weight127.21 g/mol
Exact Mass127.11
IUPAC Name(5E)-5-(1-deuterioethylidene)-2,2-dimethyloxolane
SMILES[2H]/C(C)=C1/CCC(C)(C)O1
InChIInChI=1S/C8H14O/c1-4-7-5-6-8(2,3)9-7/h4H,5-6H2,1-3H3/b7-4+/i4D
InChIKeyGABBGMRRKDRXNK-FVVHZDMLSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(1-deuterioethylidene)-2,2-dimethyloxolane?
The IUPAC name of (5E)-5-(1-deuterioethylidene)-2,2-dimethyloxolane (CID 135038709) is (5E)-5-(1-deuterioethylidene)-2,2-dimethyloxolane.
What is the SMILES notation for (5E)-5-(1-deuterioethylidene)-2,2-dimethyloxolane?
The canonical SMILES for (5E)-5-(1-deuterioethylidene)-2,2-dimethyloxolane is [2H]/C(C)=C1/CCC(C)(C)O1.
What is the InChIKey of (5E)-5-(1-deuterioethylidene)-2,2-dimethyloxolane?
The InChIKey is GABBGMRRKDRXNK-FVVHZDMLSA-N. The full InChI is InChI=1S/C8H14O/c1-4-7-5-6-8(2,3)9-7/h4H,5-6H2,1-3H3/b7-4+/i4D.
What are the key properties of (5E)-5-(1-deuterioethylidene)-2,2-dimethyloxolane?
(5E)-5-(1-deuterioethylidene)-2,2-dimethyloxolane has a molecular weight of 127.21 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(1-deuterioethylidene)-2,2-dimethyloxolane is sourced from PubChem (CID 135038709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).