decane;propan-1-ol

C13H30O — CID 157421705

IUPACdecane;propan-1-ol
SMILESCCCCCCCCCC.CCCO
InChIInChI=1S/C10H22.C3H8O/c1-3-5-7-9-10-8-6-4-2;1-2-3-4/h3-10H2,1-2H3;4H,2-3H2,1H3
InChIKeyBPMGEXYNPKPTAJ-UHFFFAOYSA-N
MW202.38 g/mol
LogP4.54
Rot. Bonds8

About decane;propan-1-ol

decane;propan-1-ol (PubChem CID 157421705) has the molecular formula C13H30O and a molecular weight of 202.38 g/mol. Its IUPAC name is decane;propan-1-ol.

Molecular Properties

Compound Namedecane;propan-1-ol
PubChem CID157421705
Molecular FormulaC13H30O
Molecular Weight202.38 g/mol
Exact Mass202.23
IUPAC Namedecane;propan-1-ol
SMILESCCCCCCCCCC.CCCO
InChIInChI=1S/C10H22.C3H8O/c1-3-5-7-9-10-8-6-4-2;1-2-3-4/h3-10H2,1-2H3;4H,2-3H2,1H3
InChIKeyBPMGEXYNPKPTAJ-UHFFFAOYSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.38
LogP ≤ 54.54
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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Related Compounds

decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
hexan-1-ol;nonane
CID 175106830
octan-1-ol;pentane-1,5-diol
CID 174867151

Frequently Asked Questions

What is the IUPAC name of decane;propan-1-ol?
The IUPAC name of decane;propan-1-ol (CID 157421705) is decane;propan-1-ol.
What is the SMILES notation for decane;propan-1-ol?
The canonical SMILES for decane;propan-1-ol is CCCCCCCCCC.CCCO.
What is the InChIKey of decane;propan-1-ol?
The InChIKey is BPMGEXYNPKPTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C3H8O/c1-3-5-7-9-10-8-6-4-2;1-2-3-4/h3-10H2,1-2H3;4H,2-3H2,1H3.
What are the key properties of decane;propan-1-ol?
decane;propan-1-ol has a molecular weight of 202.38 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decane;propan-1-ol is sourced from PubChem (CID 157421705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).