cyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene

C18H34O3 — CID 67065277

IUPACcyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene
SMILESC1CCCCC1.C=CCO.C=CCO.C=CCOCC=C
InChIInChI=1S/C6H10O.C6H12.2C3H6O/c1-3-5-7-6-4-2;1-2-4-6-5-3-1;2*1-2-3-4/h3-4H,1-2,5-6H2;1-6H2;2*2,4H,1,3H2
InChIKeyXFUDFKDRYLBPBU-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.05
Rot. Bonds6

About cyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene

cyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene (PubChem CID 67065277) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is cyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Namecyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene
PubChem CID67065277
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Namecyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene
SMILESC1CCCCC1.C=CCO.C=CCO.C=CCOCC=C
InChIInChI=1S/C6H10O.C6H12.2C3H6O/c1-3-5-7-6-4-2;1-2-4-6-5-3-1;2*1-2-3-4/h3-4H,1-2,5-6H2;1-6H2;2*2,4H,1,3H2
InChIKeyXFUDFKDRYLBPBU-UHFFFAOYSA-N
XLogP4.05
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.05
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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Related Compounds

Cyclohexane;methanol;3-methoxyprop-1-ene
CID 67527956
Cyclohexane;methanol;3-prop-2-enoxyprop-1-ene
CID 67527957
Decane;methanol;3-prop-2-enoxyprop-1-ene
CID 174633112

Frequently Asked Questions

What is the IUPAC name of cyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene?
The IUPAC name of cyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene (CID 67065277) is cyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for cyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene?
The canonical SMILES for cyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene is C1CCCCC1.C=CCO.C=CCO.C=CCOCC=C.
What is the InChIKey of cyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene?
The InChIKey is XFUDFKDRYLBPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C6H12.2C3H6O/c1-3-5-7-6-4-2;1-2-4-6-5-3-1;2*1-2-3-4/h3-4H,1-2,5-6H2;1-6H2;2*2,4H,1,3H2.
What are the key properties of cyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene?
cyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene has a molecular weight of 298.47 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 67065277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).