decane;pentan-1-ol;prop-1-ene

C18H40O — CID 174418987

IUPACdecane;pentan-1-ol;prop-1-ene
SMILESC=CC.CCCCCCCCCC.CCCCCO
InChIInChI=1S/C10H22.C5H12O.C3H6/c1-3-5-7-9-10-8-6-4-2;1-2-3-4-5-6;1-3-2/h3-10H2,1-2H3;6H,2-5H2,1H3;3H,1H2,2H3
InChIKeyTZILQTFZLLFIJC-UHFFFAOYSA-N
MW272.52 g/mol
LogP6.51
Rot. Bonds10

About decane;pentan-1-ol;prop-1-ene

decane;pentan-1-ol;prop-1-ene (PubChem CID 174418987) has the molecular formula C18H40O and a molecular weight of 272.52 g/mol. Its IUPAC name is decane;pentan-1-ol;prop-1-ene.

Molecular Properties

Compound Namedecane;pentan-1-ol;prop-1-ene
PubChem CID174418987
Molecular FormulaC18H40O
Molecular Weight272.52 g/mol
Exact Mass272.31
IUPAC Namedecane;pentan-1-ol;prop-1-ene
SMILESC=CC.CCCCCCCCCC.CCCCCO
InChIInChI=1S/C10H22.C5H12O.C3H6/c1-3-5-7-9-10-8-6-4-2;1-2-3-4-5-6;1-3-2/h3-10H2,1-2H3;6H,2-5H2,1H3;3H,1H2,2H3
InChIKeyTZILQTFZLLFIJC-UHFFFAOYSA-N
XLogP6.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.52
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethene;hexan-1-ol
CID 88694978
heptan-1-ol;nonan-1-ol
CID 160785033
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
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

Frequently Asked Questions

What is the IUPAC name of decane;pentan-1-ol;prop-1-ene?
The IUPAC name of decane;pentan-1-ol;prop-1-ene (CID 174418987) is decane;pentan-1-ol;prop-1-ene.
What is the SMILES notation for decane;pentan-1-ol;prop-1-ene?
The canonical SMILES for decane;pentan-1-ol;prop-1-ene is C=CC.CCCCCCCCCC.CCCCCO.
What is the InChIKey of decane;pentan-1-ol;prop-1-ene?
The InChIKey is TZILQTFZLLFIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C5H12O.C3H6/c1-3-5-7-9-10-8-6-4-2;1-2-3-4-5-6;1-3-2/h3-10H2,1-2H3;6H,2-5H2,1H3;3H,1H2,2H3.
What are the key properties of decane;pentan-1-ol;prop-1-ene?
decane;pentan-1-ol;prop-1-ene has a molecular weight of 272.52 g/mol, XLogP of 6.51, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decane;pentan-1-ol;prop-1-ene is sourced from PubChem (CID 174418987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).