cyclohexane;methanol;3-methoxyprop-1-ene

C11H24O2 — CID 67527956

IUPACcyclohexane;methanol;3-methoxyprop-1-ene
SMILESC1CCCCC1.C=CCOC.CO
InChIInChI=1S/C6H12.C4H8O.CH4O/c1-2-4-6-5-3-1;1-3-4-5-2;1-2/h1-6H2;3H,1,4H2,2H3;2H,1H3
InChIKeyYDDAALLZCXPKHF-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.77
Rot. Bonds2

About cyclohexane;methanol;3-methoxyprop-1-ene

cyclohexane;methanol;3-methoxyprop-1-ene (PubChem CID 67527956) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is cyclohexane;methanol;3-methoxyprop-1-ene.

Molecular Properties

Compound Namecyclohexane;methanol;3-methoxyprop-1-ene
PubChem CID67527956
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Namecyclohexane;methanol;3-methoxyprop-1-ene
SMILESC1CCCCC1.C=CCOC.CO
InChIInChI=1S/C6H12.C4H8O.CH4O/c1-2-4-6-5-3-1;1-3-4-5-2;1-2/h1-6H2;3H,1,4H2,2H3;2H,1H3
InChIKeyYDDAALLZCXPKHF-UHFFFAOYSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;methanol;3-methoxyprop-1-ene?
The IUPAC name of cyclohexane;methanol;3-methoxyprop-1-ene (CID 67527956) is cyclohexane;methanol;3-methoxyprop-1-ene.
What is the SMILES notation for cyclohexane;methanol;3-methoxyprop-1-ene?
The canonical SMILES for cyclohexane;methanol;3-methoxyprop-1-ene is C1CCCCC1.C=CCOC.CO.
What is the InChIKey of cyclohexane;methanol;3-methoxyprop-1-ene?
The InChIKey is YDDAALLZCXPKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H8O.CH4O/c1-2-4-6-5-3-1;1-3-4-5-2;1-2/h1-6H2;3H,1,4H2,2H3;2H,1H3.
What are the key properties of cyclohexane;methanol;3-methoxyprop-1-ene?
cyclohexane;methanol;3-methoxyprop-1-ene has a molecular weight of 188.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;methanol;3-methoxyprop-1-ene is sourced from PubChem (CID 67527956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).