2-methylpropan-1-ol;pentan-1-ol

C9H22O2 — CID 18378108

IUPAC2-methylpropan-1-ol;pentan-1-ol
SMILESCC(C)CO.CCCCCO
InChIInChI=1S/C5H12O.C4H10O/c1-2-3-4-5-6;1-4(2)3-5/h6H,2-5H2,1H3;4-5H,3H2,1-2H3
InChIKeyNDPUCEKMWKJTRO-UHFFFAOYSA-N
MW162.27 g/mol
LogP1.80
Rot. Bonds4

About 2-methylpropan-1-ol;pentan-1-ol

2-methylpropan-1-ol;pentan-1-ol (PubChem CID 18378108) has the molecular formula C9H22O2 and a molecular weight of 162.27 g/mol. Its IUPAC name is 2-methylpropan-1-ol;pentan-1-ol.

Molecular Properties

Compound Name2-methylpropan-1-ol;pentan-1-ol
PubChem CID18378108
Molecular FormulaC9H22O2
Molecular Weight162.27 g/mol
Exact Mass162.16
IUPAC Name2-methylpropan-1-ol;pentan-1-ol
SMILESCC(C)CO.CCCCCO
InChIInChI=1S/C5H12O.C4H10O/c1-2-3-4-5-6;1-4(2)3-5/h6H,2-5H2,1H3;4-5H,3H2,1-2H3
InChIKeyNDPUCEKMWKJTRO-UHFFFAOYSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-1-ol;pentan-1-ol?
The IUPAC name of 2-methylpropan-1-ol;pentan-1-ol (CID 18378108) is 2-methylpropan-1-ol;pentan-1-ol.
What is the SMILES notation for 2-methylpropan-1-ol;pentan-1-ol?
The canonical SMILES for 2-methylpropan-1-ol;pentan-1-ol is CC(C)CO.CCCCCO.
What is the InChIKey of 2-methylpropan-1-ol;pentan-1-ol?
The InChIKey is NDPUCEKMWKJTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C4H10O/c1-2-3-4-5-6;1-4(2)3-5/h6H,2-5H2,1H3;4-5H,3H2,1-2H3.
What are the key properties of 2-methylpropan-1-ol;pentan-1-ol?
2-methylpropan-1-ol;pentan-1-ol has a molecular weight of 162.27 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-1-ol;pentan-1-ol is sourced from PubChem (CID 18378108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).