dec-9-en-1-ol;oxirane

C12H24O2 — CID 158116163

IUPACdec-9-en-1-ol;oxirane
SMILESC1CO1.C=CCCCCCCCCO
InChIInChI=1S/C10H20O.C2H4O/c1-2-3-4-5-6-7-8-9-10-11;1-2-3-1/h2,11H,1,3-10H2;1-2H2
InChIKeyFRAJMCSMKSIXKJ-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.91
Rot. Bonds8

About dec-9-en-1-ol;oxirane

dec-9-en-1-ol;oxirane (PubChem CID 158116163) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is dec-9-en-1-ol;oxirane.

Molecular Properties

Compound Namedec-9-en-1-ol;oxirane
PubChem CID158116163
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Namedec-9-en-1-ol;oxirane
SMILESC1CO1.C=CCCCCCCCCO
InChIInChI=1S/C10H20O.C2H4O/c1-2-3-4-5-6-7-8-9-10-11;1-2-3-1/h2,11H,1,3-10H2;1-2H2
InChIKeyFRAJMCSMKSIXKJ-UHFFFAOYSA-N
XLogP2.91
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dec-9-en-1-ol;oxirane?
The IUPAC name of dec-9-en-1-ol;oxirane (CID 158116163) is dec-9-en-1-ol;oxirane.
What is the SMILES notation for dec-9-en-1-ol;oxirane?
The canonical SMILES for dec-9-en-1-ol;oxirane is C1CO1.C=CCCCCCCCCO.
What is the InChIKey of dec-9-en-1-ol;oxirane?
The InChIKey is FRAJMCSMKSIXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C2H4O/c1-2-3-4-5-6-7-8-9-10-11;1-2-3-1/h2,11H,1,3-10H2;1-2H2.
What are the key properties of dec-9-en-1-ol;oxirane?
dec-9-en-1-ol;oxirane has a molecular weight of 200.32 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-en-1-ol;oxirane is sourced from PubChem (CID 158116163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).