(5S)-3,5-dimethyloxan-3-ol;ethane

C9H20O2 — CID 177212891

IUPAC(5S)-3,5-dimethyloxan-3-ol;ethane
SMILESCC.C[C@@H]1COCC(C)(O)C1
InChIInChI=1S/C7H14O2.C2H6/c1-6-3-7(2,8)5-9-4-6;1-2/h6,8H,3-5H2,1-2H3;1-2H3/t6-,7?;/m0./s1
InChIKeyKJDVVYIHBWLBDO-OXIGJRIQSA-N
MW160.26 g/mol
LogP1.82
Rot. Bonds

About (5S)-3,5-dimethyloxan-3-ol;ethane

(5S)-3,5-dimethyloxan-3-ol;ethane (PubChem CID 177212891) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is (5S)-3,5-dimethyloxan-3-ol;ethane.

Molecular Properties

Compound Name(5S)-3,5-dimethyloxan-3-ol;ethane
PubChem CID177212891
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name(5S)-3,5-dimethyloxan-3-ol;ethane
SMILESCC.C[C@@H]1COCC(C)(O)C1
InChIInChI=1S/C7H14O2.C2H6/c1-6-3-7(2,8)5-9-4-6;1-2/h6,8H,3-5H2,1-2H3;1-2H3/t6-,7?;/m0./s1
InChIKeyKJDVVYIHBWLBDO-OXIGJRIQSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-3,5-dimethyloxan-3-ol
CID 134289610
7-methyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol
CID 102221158
(3R,4R)-6,6-difluoro-3,4-dimethyloxan-3-ol
CID 171582112
fluoromethane;1,3,3,5-tetramethylcyclohexan-1-ol
CID 142032504
ethane;6-methyl-2-oxaspiro[3.3]heptane
CID 144747206
2,9-dimethyl-7-oxa-2-azaspiro[4.5]decane
CID 166858299
(2R,5R)-2-(hydroxymethyl)-3,5-dimethyloxan-3-ol
CID 134289608
(1R,3R,4R)-1,3,4-trimethylcyclopentane-1,3-diol
CID 10486972
CID 174094547
CID 174094547
9-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane
CID 166858231
1,3-dimethyl-6-(methylamino)cycloheptan-1-ol
CID 163998697
(3R)-1,3,4,5-tetramethylcyclohexan-1-ol
CID 70226236

Frequently Asked Questions

What is the IUPAC name of (5S)-3,5-dimethyloxan-3-ol;ethane?
The IUPAC name of (5S)-3,5-dimethyloxan-3-ol;ethane (CID 177212891) is (5S)-3,5-dimethyloxan-3-ol;ethane.
What is the SMILES notation for (5S)-3,5-dimethyloxan-3-ol;ethane?
The canonical SMILES for (5S)-3,5-dimethyloxan-3-ol;ethane is CC.C[C@@H]1COCC(C)(O)C1.
What is the InChIKey of (5S)-3,5-dimethyloxan-3-ol;ethane?
The InChIKey is KJDVVYIHBWLBDO-OXIGJRIQSA-N. The full InChI is InChI=1S/C7H14O2.C2H6/c1-6-3-7(2,8)5-9-4-6;1-2/h6,8H,3-5H2,1-2H3;1-2H3/t6-,7?;/m0./s1.
What are the key properties of (5S)-3,5-dimethyloxan-3-ol;ethane?
(5S)-3,5-dimethyloxan-3-ol;ethane has a molecular weight of 160.26 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,5-dimethyloxan-3-ol;ethane is sourced from PubChem (CID 177212891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).