(2R,3S,5S)-3-methyl-2-[(2R)-pent-4-en-2-yl]-5-tritiooxolane

C10H18O — CID 126586487

IUPAC(2R,3S,5S)-3-methyl-2-[(2R)-pent-4-en-2-yl]-5-tritiooxolane
SMILES[3H][C@H]1C[C@H](C)[C@@H]([C@H](C)CC=C)O1
InChIInChI=1S/C10H18O/c1-4-5-8(2)10-9(3)6-7-11-10/h4,8-10H,1,5-7H2,2-3H3/t8-,9+,10-/m1/s1/i7T/t7-,8+,9-,10+/m0
InChIKeyGSXACQNAFRYWCB-DQLCPIODSA-N
MW156.26 g/mol
LogP2.62
Rot. Bonds3

About (2R,3S,5S)-3-methyl-2-[(2R)-pent-4-en-2-yl]-5-tritiooxolane

(2R,3S,5S)-3-methyl-2-[(2R)-pent-4-en-2-yl]-5-tritiooxolane (PubChem CID 126586487) has the molecular formula C10H18O and a molecular weight of 156.26 g/mol. Its IUPAC name is (2R,3S,5S)-3-methyl-2-[(2R)-pent-4-en-2-yl]-5-tritiooxolane.

Molecular Properties

Compound Name(2R,3S,5S)-3-methyl-2-[(2R)-pent-4-en-2-yl]-5-tritiooxolane
PubChem CID126586487
Molecular FormulaC10H18O
Molecular Weight156.26 g/mol
Exact Mass156.14
IUPAC Name(2R,3S,5S)-3-methyl-2-[(2R)-pent-4-en-2-yl]-5-tritiooxolane
SMILES[3H][C@H]1C[C@H](C)[C@@H]([C@H](C)CC=C)O1
InChIInChI=1S/C10H18O/c1-4-5-8(2)10-9(3)6-7-11-10/h4,8-10H,1,5-7H2,2-3H3/t8-,9+,10-/m1/s1/i7T/t7-,8+,9-,10+/m0
InChIKeyGSXACQNAFRYWCB-DQLCPIODSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-3-methyl-2-[(2R)-pent-4-en-2-yl]-5-tritiooxolane?
The IUPAC name of (2R,3S,5S)-3-methyl-2-[(2R)-pent-4-en-2-yl]-5-tritiooxolane (CID 126586487) is (2R,3S,5S)-3-methyl-2-[(2R)-pent-4-en-2-yl]-5-tritiooxolane.
What is the SMILES notation for (2R,3S,5S)-3-methyl-2-[(2R)-pent-4-en-2-yl]-5-tritiooxolane?
The canonical SMILES for (2R,3S,5S)-3-methyl-2-[(2R)-pent-4-en-2-yl]-5-tritiooxolane is [3H][C@H]1C[C@H](C)[C@@H]([C@H](C)CC=C)O1.
What is the InChIKey of (2R,3S,5S)-3-methyl-2-[(2R)-pent-4-en-2-yl]-5-tritiooxolane?
The InChIKey is GSXACQNAFRYWCB-DQLCPIODSA-N. The full InChI is InChI=1S/C10H18O/c1-4-5-8(2)10-9(3)6-7-11-10/h4,8-10H,1,5-7H2,2-3H3/t8-,9+,10-/m1/s1/i7T/t7-,8+,9-,10+/m0.
What are the key properties of (2R,3S,5S)-3-methyl-2-[(2R)-pent-4-en-2-yl]-5-tritiooxolane?
(2R,3S,5S)-3-methyl-2-[(2R)-pent-4-en-2-yl]-5-tritiooxolane has a molecular weight of 156.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-3-methyl-2-[(2R)-pent-4-en-2-yl]-5-tritiooxolane is sourced from PubChem (CID 126586487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).