[(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3-phenylmethoxyoxan-2-yl]methanol

C19H28O5 — CID 11067677

IUPAC[(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3-phenylmethoxyoxan-2-yl]methanol
SMILESCC1(C)OC[C@H]([C@]2(C)CC[C@H](OCc3ccccc3)[C@@H](CO)O2)O1
InChIInChI=1S/C19H28O5/c1-18(2)22-13-17(24-18)19(3)10-9-15(16(11-20)23-19)21-12-14-7-5-4-6-8-14/h4-8,15-17,20H,9-13H2,1-3H3/t15-,16+,17+,19-/m0/s1
InChIKeyOGVKTJPSKGGZML-FAJBIJEISA-N
MW336.43 g/mol
LogP2.65
Rot. Bonds5

About [(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3-phenylmethoxyoxan-2-yl]methanol

[(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3-phenylmethoxyoxan-2-yl]methanol (PubChem CID 11067677) has the molecular formula C19H28O5 and a molecular weight of 336.43 g/mol. Its IUPAC name is [(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3-phenylmethoxyoxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3-phenylmethoxyoxan-2-yl]methanol
PubChem CID11067677
Molecular FormulaC19H28O5
Molecular Weight336.43 g/mol
Exact Mass336.19
IUPAC Name[(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3-phenylmethoxyoxan-2-yl]methanol
SMILESCC1(C)OC[C@H]([C@]2(C)CC[C@H](OCc3ccccc3)[C@@H](CO)O2)O1
InChIInChI=1S/C19H28O5/c1-18(2)22-13-17(24-18)19(3)10-9-15(16(11-20)23-19)21-12-14-7-5-4-6-8-14/h4-8,15-17,20H,9-13H2,1-3H3/t15-,16+,17+,19-/m0/s1
InChIKeyOGVKTJPSKGGZML-FAJBIJEISA-N
XLogP2.65
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3-phenylmethoxyoxan-2-yl]methanol?
The IUPAC name of [(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3-phenylmethoxyoxan-2-yl]methanol (CID 11067677) is [(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3-phenylmethoxyoxan-2-yl]methanol.
What is the SMILES notation for [(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3-phenylmethoxyoxan-2-yl]methanol?
The canonical SMILES for [(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3-phenylmethoxyoxan-2-yl]methanol is CC1(C)OC[C@H]([C@]2(C)CC[C@H](OCc3ccccc3)[C@@H](CO)O2)O1.
What is the InChIKey of [(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3-phenylmethoxyoxan-2-yl]methanol?
The InChIKey is OGVKTJPSKGGZML-FAJBIJEISA-N. The full InChI is InChI=1S/C19H28O5/c1-18(2)22-13-17(24-18)19(3)10-9-15(16(11-20)23-19)21-12-14-7-5-4-6-8-14/h4-8,15-17,20H,9-13H2,1-3H3/t15-,16+,17+,19-/m0/s1.
What are the key properties of [(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3-phenylmethoxyoxan-2-yl]methanol?
[(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3-phenylmethoxyoxan-2-yl]methanol has a molecular weight of 336.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3-phenylmethoxyoxan-2-yl]methanol is sourced from PubChem (CID 11067677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).