methyl (2R,3S,5R)-5-tert-butyl-2-phenyl-5-propa-1,2-dienyloxolane-3-carboxylate

C19H24O3 — CID 23253705

IUPACmethyl (2R,3S,5R)-5-tert-butyl-2-phenyl-5-propa-1,2-dienyloxolane-3-carboxylate
SMILESC=C=C[C@@]1(C(C)(C)C)C[C@H](C(=O)OC)[C@H](c2ccccc2)O1
InChIInChI=1S/C19H24O3/c1-6-12-19(18(2,3)4)13-15(17(20)21-5)16(22-19)14-10-8-7-9-11-14/h7-12,15-16H,1,13H2,2-5H3/t15-,16-,19-/m0/s1
InChIKeyLBANQMZVYVQSKZ-BXWFABGCSA-N
MW300.40 g/mol
LogP4.06
Rot. Bonds3

About methyl (2R,3S,5R)-5-tert-butyl-2-phenyl-5-propa-1,2-dienyloxolane-3-carboxylate

methyl (2R,3S,5R)-5-tert-butyl-2-phenyl-5-propa-1,2-dienyloxolane-3-carboxylate (PubChem CID 23253705) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is methyl (2R,3S,5R)-5-tert-butyl-2-phenyl-5-propa-1,2-dienyloxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S,5R)-5-tert-butyl-2-phenyl-5-propa-1,2-dienyloxolane-3-carboxylate
PubChem CID23253705
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Namemethyl (2R,3S,5R)-5-tert-butyl-2-phenyl-5-propa-1,2-dienyloxolane-3-carboxylate
SMILESC=C=C[C@@]1(C(C)(C)C)C[C@H](C(=O)OC)[C@H](c2ccccc2)O1
InChIInChI=1S/C19H24O3/c1-6-12-19(18(2,3)4)13-15(17(20)21-5)16(22-19)14-10-8-7-9-11-14/h7-12,15-16H,1,13H2,2-5H3/t15-,16-,19-/m0/s1
InChIKeyLBANQMZVYVQSKZ-BXWFABGCSA-N
XLogP4.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,5R)-5-tert-butyl-2-phenyl-5-propa-1,2-dienyloxolane-3-carboxylate?
The IUPAC name of methyl (2R,3S,5R)-5-tert-butyl-2-phenyl-5-propa-1,2-dienyloxolane-3-carboxylate (CID 23253705) is methyl (2R,3S,5R)-5-tert-butyl-2-phenyl-5-propa-1,2-dienyloxolane-3-carboxylate.
What is the SMILES notation for methyl (2R,3S,5R)-5-tert-butyl-2-phenyl-5-propa-1,2-dienyloxolane-3-carboxylate?
The canonical SMILES for methyl (2R,3S,5R)-5-tert-butyl-2-phenyl-5-propa-1,2-dienyloxolane-3-carboxylate is C=C=C[C@@]1(C(C)(C)C)C[C@H](C(=O)OC)[C@H](c2ccccc2)O1.
What is the InChIKey of methyl (2R,3S,5R)-5-tert-butyl-2-phenyl-5-propa-1,2-dienyloxolane-3-carboxylate?
The InChIKey is LBANQMZVYVQSKZ-BXWFABGCSA-N. The full InChI is InChI=1S/C19H24O3/c1-6-12-19(18(2,3)4)13-15(17(20)21-5)16(22-19)14-10-8-7-9-11-14/h7-12,15-16H,1,13H2,2-5H3/t15-,16-,19-/m0/s1.
What are the key properties of methyl (2R,3S,5R)-5-tert-butyl-2-phenyl-5-propa-1,2-dienyloxolane-3-carboxylate?
methyl (2R,3S,5R)-5-tert-butyl-2-phenyl-5-propa-1,2-dienyloxolane-3-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,5R)-5-tert-butyl-2-phenyl-5-propa-1,2-dienyloxolane-3-carboxylate is sourced from PubChem (CID 23253705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).