(4S)-2,2-dimethyl-4-pent-4-ynyl-1,3-oxazolidine

C10H17NO — CID 145480676

IUPAC(4S)-2,2-dimethyl-4-pent-4-ynyl-1,3-oxazolidine
SMILESC#CCCC[C@H]1COC(C)(C)N1
InChIInChI=1S/C10H17NO/c1-4-5-6-7-9-8-12-10(2,3)11-9/h1,9,11H,5-8H2,2-3H3/t9-/m0/s1
InChIKeyRXIQFFPAYZWOMB-VIFPVBQESA-N
MW167.25 g/mol
LogP1.51
Rot. Bonds3

About (4S)-2,2-dimethyl-4-pent-4-ynyl-1,3-oxazolidine

(4S)-2,2-dimethyl-4-pent-4-ynyl-1,3-oxazolidine (PubChem CID 145480676) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-pent-4-ynyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-pent-4-ynyl-1,3-oxazolidine
PubChem CID145480676
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(4S)-2,2-dimethyl-4-pent-4-ynyl-1,3-oxazolidine
SMILESC#CCCC[C@H]1COC(C)(C)N1
InChIInChI=1S/C10H17NO/c1-4-5-6-7-9-8-12-10(2,3)11-9/h1,9,11H,5-8H2,2-3H3/t9-/m0/s1
InChIKeyRXIQFFPAYZWOMB-VIFPVBQESA-N
XLogP1.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-pent-4-ynyl-1,3-oxazolidine?
The IUPAC name of (4S)-2,2-dimethyl-4-pent-4-ynyl-1,3-oxazolidine (CID 145480676) is (4S)-2,2-dimethyl-4-pent-4-ynyl-1,3-oxazolidine.
What is the SMILES notation for (4S)-2,2-dimethyl-4-pent-4-ynyl-1,3-oxazolidine?
The canonical SMILES for (4S)-2,2-dimethyl-4-pent-4-ynyl-1,3-oxazolidine is C#CCCC[C@H]1COC(C)(C)N1.
What is the InChIKey of (4S)-2,2-dimethyl-4-pent-4-ynyl-1,3-oxazolidine?
The InChIKey is RXIQFFPAYZWOMB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO/c1-4-5-6-7-9-8-12-10(2,3)11-9/h1,9,11H,5-8H2,2-3H3/t9-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-pent-4-ynyl-1,3-oxazolidine?
(4S)-2,2-dimethyl-4-pent-4-ynyl-1,3-oxazolidine has a molecular weight of 167.25 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-pent-4-ynyl-1,3-oxazolidine is sourced from PubChem (CID 145480676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).