1-deuteriooxycyclohexene

C6H10O — CID 176513769

IUPAC1-deuteriooxycyclohexene
SMILES[2H]OC1=CCCCC1
InChIInChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h4,7H,1-3,5H2/i/hD
InChIKeyQHDHNVFIKWGRJR-DYCDLGHISA-N
MW99.15 g/mol
LogP2.00
Rot. Bonds1

About 1-deuteriooxycyclohexene

1-deuteriooxycyclohexene (PubChem CID 176513769) has the molecular formula C6H10O and a molecular weight of 99.15 g/mol. Its IUPAC name is 1-deuteriooxycyclohexene.

Molecular Properties

Compound Name1-deuteriooxycyclohexene
PubChem CID176513769
Molecular FormulaC6H10O
Molecular Weight99.15 g/mol
Exact Mass99.08
IUPAC Name1-deuteriooxycyclohexene
SMILES[2H]OC1=CCCCC1
InChIInChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h4,7H,1-3,5H2/i/hD
InChIKeyQHDHNVFIKWGRJR-DYCDLGHISA-N
XLogP2.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.15
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-deuteriooxycyclohexene?
The IUPAC name of 1-deuteriooxycyclohexene (CID 176513769) is 1-deuteriooxycyclohexene.
What is the SMILES notation for 1-deuteriooxycyclohexene?
The canonical SMILES for 1-deuteriooxycyclohexene is [2H]OC1=CCCCC1.
What is the InChIKey of 1-deuteriooxycyclohexene?
The InChIKey is QHDHNVFIKWGRJR-DYCDLGHISA-N. The full InChI is InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h4,7H,1-3,5H2/i/hD.
What are the key properties of 1-deuteriooxycyclohexene?
1-deuteriooxycyclohexene has a molecular weight of 99.15 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuteriooxycyclohexene is sourced from PubChem (CID 176513769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).