ethane;3-methylbutan-1-ol;propane

C10H26O — CID 163391548

IUPACethane;3-methylbutan-1-ol;propane
SMILESCC.CC(C)CCO.CCC
InChIInChI=1S/C5H12O.C3H8.C2H6/c1-5(2)3-4-6;1-3-2;1-2/h5-6H,3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyNJKHDVKEHHHLEP-UHFFFAOYSA-N
MW162.32 g/mol
LogP3.47
Rot. Bonds2

About ethane;3-methylbutan-1-ol;propane

ethane;3-methylbutan-1-ol;propane (PubChem CID 163391548) has the molecular formula C10H26O and a molecular weight of 162.32 g/mol. Its IUPAC name is ethane;3-methylbutan-1-ol;propane.

Molecular Properties

Compound Nameethane;3-methylbutan-1-ol;propane
PubChem CID163391548
Molecular FormulaC10H26O
Molecular Weight162.32 g/mol
Exact Mass162.20
IUPAC Nameethane;3-methylbutan-1-ol;propane
SMILESCC.CC(C)CCO.CCC
InChIInChI=1S/C5H12O.C3H8.C2H6/c1-5(2)3-4-6;1-3-2;1-2/h5-6H,3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyNJKHDVKEHHHLEP-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 71441144
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CID 87881666
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CID 161349190
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CID 174918967
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CID 175255717
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Frequently Asked Questions

What is the IUPAC name of ethane;3-methylbutan-1-ol;propane?
The IUPAC name of ethane;3-methylbutan-1-ol;propane (CID 163391548) is ethane;3-methylbutan-1-ol;propane.
What is the SMILES notation for ethane;3-methylbutan-1-ol;propane?
The canonical SMILES for ethane;3-methylbutan-1-ol;propane is CC.CC(C)CCO.CCC.
What is the InChIKey of ethane;3-methylbutan-1-ol;propane?
The InChIKey is NJKHDVKEHHHLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C3H8.C2H6/c1-5(2)3-4-6;1-3-2;1-2/h5-6H,3-4H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methylbutan-1-ol;propane?
ethane;3-methylbutan-1-ol;propane has a molecular weight of 162.32 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylbutan-1-ol;propane is sourced from PubChem (CID 163391548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).