decane;methanol;3-prop-2-enoxyprop-1-ene

C18H40O3 — CID 174633112

IUPACdecane;methanol;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.CCCCCCCCCC.CO.CO
InChIInChI=1S/C10H22.C6H10O.2CH4O/c1-3-5-7-9-10-8-6-4-2;1-3-5-7-6-4-2;2*1-2/h3-10H2,1-2H3;3-4H,1-2,5-6H2;2*2H,1H3
InChIKeyDRCJWCPHLBLHDM-UHFFFAOYSA-N
MW304.52 g/mol
LogP4.74
Rot. Bonds11

About decane;methanol;3-prop-2-enoxyprop-1-ene

decane;methanol;3-prop-2-enoxyprop-1-ene (PubChem CID 174633112) has the molecular formula C18H40O3 and a molecular weight of 304.52 g/mol. Its IUPAC name is decane;methanol;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Namedecane;methanol;3-prop-2-enoxyprop-1-ene
PubChem CID174633112
Molecular FormulaC18H40O3
Molecular Weight304.52 g/mol
Exact Mass304.30
IUPAC Namedecane;methanol;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.CCCCCCCCCC.CO.CO
InChIInChI=1S/C10H22.C6H10O.2CH4O/c1-3-5-7-9-10-8-6-4-2;1-3-5-7-6-4-2;2*1-2/h3-10H2,1-2H3;3-4H,1-2,5-6H2;2*2H,1H3
InChIKeyDRCJWCPHLBLHDM-UHFFFAOYSA-N
XLogP4.74
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of decane;methanol;3-prop-2-enoxyprop-1-ene?
The IUPAC name of decane;methanol;3-prop-2-enoxyprop-1-ene (CID 174633112) is decane;methanol;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for decane;methanol;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for decane;methanol;3-prop-2-enoxyprop-1-ene is C=CCOCC=C.CCCCCCCCCC.CO.CO.
What is the InChIKey of decane;methanol;3-prop-2-enoxyprop-1-ene?
The InChIKey is DRCJWCPHLBLHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C6H10O.2CH4O/c1-3-5-7-9-10-8-6-4-2;1-3-5-7-6-4-2;2*1-2/h3-10H2,1-2H3;3-4H,1-2,5-6H2;2*2H,1H3.
What are the key properties of decane;methanol;3-prop-2-enoxyprop-1-ene?
decane;methanol;3-prop-2-enoxyprop-1-ene has a molecular weight of 304.52 g/mol, XLogP of 4.74, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decane;methanol;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 174633112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).