octane;propan-2-ol

C11H26O — CID 160746796

IUPACoctane;propan-2-ol
SMILESCC(C)O.CCCCCCCC
InChIInChI=1S/C8H18.C3H8O/c1-3-5-7-8-6-4-2;1-3(2)4/h3-8H2,1-2H3;3-4H,1-2H3
InChIKeyRWHFASLSBXRURG-UHFFFAOYSA-N
MW174.33 g/mol
LogP3.75
Rot. Bonds5

About octane;propan-2-ol

octane;propan-2-ol (PubChem CID 160746796) has the molecular formula C11H26O and a molecular weight of 174.33 g/mol. Its IUPAC name is octane;propan-2-ol.

Molecular Properties

Compound Nameoctane;propan-2-ol
PubChem CID160746796
Molecular FormulaC11H26O
Molecular Weight174.33 g/mol
Exact Mass174.20
IUPAC Nameoctane;propan-2-ol
SMILESCC(C)O.CCCCCCCC
InChIInChI=1S/C8H18.C3H8O/c1-3-5-7-8-6-4-2;1-3(2)4/h3-8H2,1-2H3;3-4H,1-2H3
InChIKeyRWHFASLSBXRURG-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze octane;propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dodecan-1-amine;bis(propan-2-ol)
CID 19742183
heptane;propan-2-ol;sulfuric acid
CID 87329461
dodecane;propan-2-ol;titanium
CID 88687204
N,N-diethylethanamine;hexane;propan-2-ol
CID 18422956
(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
heptane;heptan-2-ol
CID 157400640
henicosan-2-ol
CID 14151023
ethane;heptane;2-methylpropane
CID 167499531
methanol;undecane
CID 161373911
methane;2-methylnonadecan-3-ol;propan-2-ol
CID 160801493

Frequently Asked Questions

What is the IUPAC name of octane;propan-2-ol?
The IUPAC name of octane;propan-2-ol (CID 160746796) is octane;propan-2-ol.
What is the SMILES notation for octane;propan-2-ol?
The canonical SMILES for octane;propan-2-ol is CC(C)O.CCCCCCCC.
What is the InChIKey of octane;propan-2-ol?
The InChIKey is RWHFASLSBXRURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C3H8O/c1-3-5-7-8-6-4-2;1-3(2)4/h3-8H2,1-2H3;3-4H,1-2H3.
What are the key properties of octane;propan-2-ol?
octane;propan-2-ol has a molecular weight of 174.33 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octane;propan-2-ol is sourced from PubChem (CID 160746796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).