ethane;3-methyl-2-(oxolan-3-yl)butan-1-ol

C11H24O2 — CID 156743156

IUPACethane;3-methyl-2-(oxolan-3-yl)butan-1-ol
SMILESCC.CC(C)C(CO)C1CCOC1
InChIInChI=1S/C9H18O2.C2H6/c1-7(2)9(5-10)8-3-4-11-6-8;1-2/h7-10H,3-6H2,1-2H3;1-2H3
InChIKeyNMMMBSKDTGQVQJ-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.31
Rot. Bonds3

About ethane;3-methyl-2-(oxolan-3-yl)butan-1-ol

ethane;3-methyl-2-(oxolan-3-yl)butan-1-ol (PubChem CID 156743156) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is ethane;3-methyl-2-(oxolan-3-yl)butan-1-ol.

Molecular Properties

Compound Nameethane;3-methyl-2-(oxolan-3-yl)butan-1-ol
PubChem CID156743156
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Nameethane;3-methyl-2-(oxolan-3-yl)butan-1-ol
SMILESCC.CC(C)C(CO)C1CCOC1
InChIInChI=1S/C9H18O2.C2H6/c1-7(2)9(5-10)8-3-4-11-6-8;1-2/h7-10H,3-6H2,1-2H3;1-2H3
InChIKeyNMMMBSKDTGQVQJ-UHFFFAOYSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2-(oxolan-3-yl)butan-1-ol?
The IUPAC name of ethane;3-methyl-2-(oxolan-3-yl)butan-1-ol (CID 156743156) is ethane;3-methyl-2-(oxolan-3-yl)butan-1-ol.
What is the SMILES notation for ethane;3-methyl-2-(oxolan-3-yl)butan-1-ol?
The canonical SMILES for ethane;3-methyl-2-(oxolan-3-yl)butan-1-ol is CC.CC(C)C(CO)C1CCOC1.
What is the InChIKey of ethane;3-methyl-2-(oxolan-3-yl)butan-1-ol?
The InChIKey is NMMMBSKDTGQVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2.C2H6/c1-7(2)9(5-10)8-3-4-11-6-8;1-2/h7-10H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-2-(oxolan-3-yl)butan-1-ol?
ethane;3-methyl-2-(oxolan-3-yl)butan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2-(oxolan-3-yl)butan-1-ol is sourced from PubChem (CID 156743156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).