(3R,4R,5R,6S)-3,5-dimethyl-6-propan-2-yloxane-2,4-diol

C10H20O3 — CID 11816309

IUPAC(3R,4R,5R,6S)-3,5-dimethyl-6-propan-2-yloxane-2,4-diol
SMILESCC(C)[C@@H]1OC(O)[C@H](C)[C@H](O)[C@H]1C
InChIInChI=1S/C10H20O3/c1-5(2)9-6(3)8(11)7(4)10(12)13-9/h5-12H,1-4H3/t6-,7-,8-,9+,10?/m1/s1
InChIKeyMYQKFUCUERVTPK-NZDCWBGLSA-N
MW188.27 g/mol
LogP0.99
Rot. Bonds1

About (3R,4R,5R,6S)-3,5-dimethyl-6-propan-2-yloxane-2,4-diol

(3R,4R,5R,6S)-3,5-dimethyl-6-propan-2-yloxane-2,4-diol (PubChem CID 11816309) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (3R,4R,5R,6S)-3,5-dimethyl-6-propan-2-yloxane-2,4-diol.

Molecular Properties

Compound Name(3R,4R,5R,6S)-3,5-dimethyl-6-propan-2-yloxane-2,4-diol
PubChem CID11816309
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(3R,4R,5R,6S)-3,5-dimethyl-6-propan-2-yloxane-2,4-diol
SMILESCC(C)[C@@H]1OC(O)[C@H](C)[C@H](O)[C@H]1C
InChIInChI=1S/C10H20O3/c1-5(2)9-6(3)8(11)7(4)10(12)13-9/h5-12H,1-4H3/t6-,7-,8-,9+,10?/m1/s1
InChIKeyMYQKFUCUERVTPK-NZDCWBGLSA-N
XLogP0.99
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S,6R,9R)-9-Ethyl-4-hydroxy-1,7-dioxaspiro(5.5)undecane-3-methanol
CID 158564
Talaromycin B
CID 158569
9-Ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 13778220
(3R,4R,6R,9R)-9-Ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 13778222
(3R,5S,6R)-3,5,6-trimethyloxan-2-ol
CID 10701940
4-Pentadecyl-tetrahydro-pyran-2,4-diol
CID 44370937
methyl 2,4,6-trideoxy-2,4-di-C-methylgluohexopyranoside
CID 147963
(3S,4R,6R,9R)-9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 11299178
CID 139583645
CID 139583645
(3S,4S,6S,9R)-9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 163090404
(3R,4S,6S,9R)-9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 163090405
3,6-Dimethyloxan-2-ol
CID 58535481

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6S)-3,5-dimethyl-6-propan-2-yloxane-2,4-diol?
The IUPAC name of (3R,4R,5R,6S)-3,5-dimethyl-6-propan-2-yloxane-2,4-diol (CID 11816309) is (3R,4R,5R,6S)-3,5-dimethyl-6-propan-2-yloxane-2,4-diol.
What is the SMILES notation for (3R,4R,5R,6S)-3,5-dimethyl-6-propan-2-yloxane-2,4-diol?
The canonical SMILES for (3R,4R,5R,6S)-3,5-dimethyl-6-propan-2-yloxane-2,4-diol is CC(C)[C@@H]1OC(O)[C@H](C)[C@H](O)[C@H]1C.
What is the InChIKey of (3R,4R,5R,6S)-3,5-dimethyl-6-propan-2-yloxane-2,4-diol?
The InChIKey is MYQKFUCUERVTPK-NZDCWBGLSA-N. The full InChI is InChI=1S/C10H20O3/c1-5(2)9-6(3)8(11)7(4)10(12)13-9/h5-12H,1-4H3/t6-,7-,8-,9+,10?/m1/s1.
What are the key properties of (3R,4R,5R,6S)-3,5-dimethyl-6-propan-2-yloxane-2,4-diol?
(3R,4R,5R,6S)-3,5-dimethyl-6-propan-2-yloxane-2,4-diol has a molecular weight of 188.27 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6S)-3,5-dimethyl-6-propan-2-yloxane-2,4-diol is sourced from PubChem (CID 11816309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).