2-propylheptan-1-ol

C10H22O — CID 24847

IUPAC2-propylheptan-1-ol
SMILESCCCCCC(CO)CCC
InChIInChI=1S/C10H22O/c1-3-5-6-8-10(9-11)7-4-2/h10-11H,3-9H2,1-2H3
InChIKeyYLQLIQIAXYRMDL-UHFFFAOYSA-N
MW158.28 g/mol
LogP2.98
Rot. Bonds7

About 2-propylheptan-1-ol

2-propylheptan-1-ol (PubChem CID 24847) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 2-propylheptan-1-ol.

Molecular Properties

Compound Name2-propylheptan-1-ol
PubChem CID24847
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name2-propylheptan-1-ol
SMILESCCCCCC(CO)CCC
InChIInChI=1S/C10H22O/c1-3-5-6-8-10(9-11)7-4-2/h10-11H,3-9H2,1-2H3
InChIKeyYLQLIQIAXYRMDL-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-propylheptan-1-ol?
The IUPAC name of 2-propylheptan-1-ol (CID 24847) is 2-propylheptan-1-ol.
What is the SMILES notation for 2-propylheptan-1-ol?
The canonical SMILES for 2-propylheptan-1-ol is CCCCCC(CO)CCC.
What is the InChIKey of 2-propylheptan-1-ol?
The InChIKey is YLQLIQIAXYRMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-3-5-6-8-10(9-11)7-4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-propylheptan-1-ol?
2-propylheptan-1-ol has a molecular weight of 158.28 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylheptan-1-ol is sourced from PubChem (CID 24847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).