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

C14H30O3 — CID 67527957

IUPACcyclohexane;methanol;3-prop-2-enoxyprop-1-ene
SMILESC1CCCCC1.C=CCOCC=C.CO.CO
InChIInChI=1S/C6H10O.C6H12.2CH4O/c1-3-5-7-6-4-2;1-2-4-6-5-3-1;2*1-2/h3-4H,1-2,5-6H2;1-6H2;2*2H,1H3
InChIKeyHMHNLLGWQCFFTA-UHFFFAOYSA-N
MW246.39 g/mol
LogP2.93
Rot. Bonds4

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

cyclohexane;methanol;3-prop-2-enoxyprop-1-ene (PubChem CID 67527957) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is cyclohexane;methanol;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Namecyclohexane;methanol;3-prop-2-enoxyprop-1-ene
PubChem CID67527957
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Namecyclohexane;methanol;3-prop-2-enoxyprop-1-ene
SMILESC1CCCCC1.C=CCOCC=C.CO.CO
InChIInChI=1S/C6H10O.C6H12.2CH4O/c1-3-5-7-6-4-2;1-2-4-6-5-3-1;2*1-2/h3-4H,1-2,5-6H2;1-6H2;2*2H,1H3
InChIKeyHMHNLLGWQCFFTA-UHFFFAOYSA-N
XLogP2.93
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 52.93
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 cyclohexane;methanol;3-prop-2-enoxyprop-1-ene?
The IUPAC name of cyclohexane;methanol;3-prop-2-enoxyprop-1-ene (CID 67527957) is cyclohexane;methanol;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for cyclohexane;methanol;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for cyclohexane;methanol;3-prop-2-enoxyprop-1-ene is C1CCCCC1.C=CCOCC=C.CO.CO.
What is the InChIKey of cyclohexane;methanol;3-prop-2-enoxyprop-1-ene?
The InChIKey is HMHNLLGWQCFFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C6H12.2CH4O/c1-3-5-7-6-4-2;1-2-4-6-5-3-1;2*1-2/h3-4H,1-2,5-6H2;1-6H2;2*2H,1H3.
What are the key properties of cyclohexane;methanol;3-prop-2-enoxyprop-1-ene?
cyclohexane;methanol;3-prop-2-enoxyprop-1-ene has a molecular weight of 246.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;methanol;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 67527957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).