(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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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).