decan-1-ol;oxolane;hydrate

C14H32O3 — CID 174935070

IUPACdecan-1-ol;oxolane;hydrate
SMILESC1CCOC1.CCCCCCCCCCO.O
InChIInChI=1S/C10H22O.C4H8O.H2O/c1-2-3-4-5-6-7-8-9-10-11;1-2-4-5-3-1;/h11H,2-10H2,1H3;1-4H2;1H2
InChIKeyXFVMPGVUYSXSRO-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.09
Rot. Bonds8

About decan-1-ol;oxolane;hydrate

decan-1-ol;oxolane;hydrate (PubChem CID 174935070) has the molecular formula C14H32O3 and a molecular weight of 248.41 g/mol. Its IUPAC name is decan-1-ol;oxolane;hydrate.

Molecular Properties

Compound Namedecan-1-ol;oxolane;hydrate
PubChem CID174935070
Molecular FormulaC14H32O3
Molecular Weight248.41 g/mol
Exact Mass248.24
IUPAC Namedecan-1-ol;oxolane;hydrate
SMILESC1CCOC1.CCCCCCCCCCO.O
InChIInChI=1S/C10H22O.C4H8O.H2O/c1-2-3-4-5-6-7-8-9-10-11;1-2-4-5-3-1;/h11H,2-10H2,1H3;1-4H2;1H2
InChIKeyXFVMPGVUYSXSRO-UHFFFAOYSA-N
XLogP3.09
TPSA60.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dodecan-1-ol;methanol;oxolane
CID 174811054
butan-1-ol;oxolane;hydrate
CID 68989617
dioxane;hexan-1-ol
CID 174438988
butan-1-ol;1,4-dioxane;hydrate
CID 67047509
cyclopentane;heptan-1-ol
CID 67743397
decan-1-ol;hydrofluoride
CID 158778674
hexadecan-1-ol;pentane
CID 175595419
hexan-1-ol;hydrate;hydrochloride
CID 86720799
cyclohexane;bis(pentan-1-ol)
CID 159060972
azane;decan-1-ol;hydrate
CID 174925863
cycloheptane;bis(pentan-1-ol)
CID 140562210
bis(hexan-1-ol);zirconium;dihydrate
CID 175523338

Frequently Asked Questions

What is the IUPAC name of decan-1-ol;oxolane;hydrate?
The IUPAC name of decan-1-ol;oxolane;hydrate (CID 174935070) is decan-1-ol;oxolane;hydrate.
What is the SMILES notation for decan-1-ol;oxolane;hydrate?
The canonical SMILES for decan-1-ol;oxolane;hydrate is C1CCOC1.CCCCCCCCCCO.O.
What is the InChIKey of decan-1-ol;oxolane;hydrate?
The InChIKey is XFVMPGVUYSXSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C4H8O.H2O/c1-2-3-4-5-6-7-8-9-10-11;1-2-4-5-3-1;/h11H,2-10H2,1H3;1-4H2;1H2.
What are the key properties of decan-1-ol;oxolane;hydrate?
decan-1-ol;oxolane;hydrate has a molecular weight of 248.41 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decan-1-ol;oxolane;hydrate is sourced from PubChem (CID 174935070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).