decane;decan-1-ol

C20H44O — CID 22418527

IUPACdecane;decan-1-ol
SMILESCCCCCCCCCC.CCCCCCCCCCO
InChIInChI=1S/C10H22O.C10H22/c1-2-3-4-5-6-7-8-9-10-11;1-3-5-7-9-10-8-6-4-2/h11H,2-10H2,1H3;3-10H2,1-2H3
InChIKeyMFSWOPCIGYBSEQ-UHFFFAOYSA-N
MW300.57 g/mol
LogP7.27
Rot. Bonds15

About decane;decan-1-ol

decane;decan-1-ol (PubChem CID 22418527) has the molecular formula C20H44O and a molecular weight of 300.57 g/mol. Its IUPAC name is decane;decan-1-ol.

Molecular Properties

Compound Namedecane;decan-1-ol
PubChem CID22418527
Molecular FormulaC20H44O
Molecular Weight300.57 g/mol
Exact Mass300.34
IUPAC Namedecane;decan-1-ol
SMILESCCCCCCCCCC.CCCCCCCCCCO
InChIInChI=1S/C10H22O.C10H22/c1-2-3-4-5-6-7-8-9-10-11;1-3-5-7-9-10-8-6-4-2/h11H,2-10H2,1H3;3-10H2,1-2H3
InChIKeyMFSWOPCIGYBSEQ-UHFFFAOYSA-N
XLogP7.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.57
LogP ≤ 57.27
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

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
hexadecane;hexadecan-1-ol
CID 22418546

Frequently Asked Questions

What is the IUPAC name of decane;decan-1-ol?
The IUPAC name of decane;decan-1-ol (CID 22418527) is decane;decan-1-ol.
What is the SMILES notation for decane;decan-1-ol?
The canonical SMILES for decane;decan-1-ol is CCCCCCCCCC.CCCCCCCCCCO.
What is the InChIKey of decane;decan-1-ol?
The InChIKey is MFSWOPCIGYBSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C10H22/c1-2-3-4-5-6-7-8-9-10-11;1-3-5-7-9-10-8-6-4-2/h11H,2-10H2,1H3;3-10H2,1-2H3.
What are the key properties of decane;decan-1-ol?
decane;decan-1-ol has a molecular weight of 300.57 g/mol, XLogP of 7.27, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decane;decan-1-ol is sourced from PubChem (CID 22418527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).