3-prop-2-enoxyprop-1-ene;4-propylcyclohexan-1-ol

C15H28O2 — CID 67235847

IUPAC3-prop-2-enoxyprop-1-ene;4-propylcyclohexan-1-ol
SMILESC=CCOCC=C.CCCC1CCC(O)CC1
InChIInChI=1S/C9H18O.C6H10O/c1-2-3-8-4-6-9(10)7-5-8;1-3-5-7-6-4-2/h8-10H,2-7H2,1H3;3-4H,1-2,5-6H2
InChIKeyHQWZDFRRHYERFJ-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.71
Rot. Bonds6

About 3-prop-2-enoxyprop-1-ene;4-propylcyclohexan-1-ol

3-prop-2-enoxyprop-1-ene;4-propylcyclohexan-1-ol (PubChem CID 67235847) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-prop-2-enoxyprop-1-ene;4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name3-prop-2-enoxyprop-1-ene;4-propylcyclohexan-1-ol
PubChem CID67235847
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name3-prop-2-enoxyprop-1-ene;4-propylcyclohexan-1-ol
SMILESC=CCOCC=C.CCCC1CCC(O)CC1
InChIInChI=1S/C9H18O.C6H10O/c1-2-3-8-4-6-9(10)7-5-8;1-3-5-7-6-4-2/h8-10H,2-7H2,1H3;3-4H,1-2,5-6H2
InChIKeyHQWZDFRRHYERFJ-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.71
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxyprop-1-ene;4-propylcyclohexan-1-ol?
The IUPAC name of 3-prop-2-enoxyprop-1-ene;4-propylcyclohexan-1-ol (CID 67235847) is 3-prop-2-enoxyprop-1-ene;4-propylcyclohexan-1-ol.
What is the SMILES notation for 3-prop-2-enoxyprop-1-ene;4-propylcyclohexan-1-ol?
The canonical SMILES for 3-prop-2-enoxyprop-1-ene;4-propylcyclohexan-1-ol is C=CCOCC=C.CCCC1CCC(O)CC1.
What is the InChIKey of 3-prop-2-enoxyprop-1-ene;4-propylcyclohexan-1-ol?
The InChIKey is HQWZDFRRHYERFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.C6H10O/c1-2-3-8-4-6-9(10)7-5-8;1-3-5-7-6-4-2/h8-10H,2-7H2,1H3;3-4H,1-2,5-6H2.
What are the key properties of 3-prop-2-enoxyprop-1-ene;4-propylcyclohexan-1-ol?
3-prop-2-enoxyprop-1-ene;4-propylcyclohexan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxyprop-1-ene;4-propylcyclohexan-1-ol is sourced from PubChem (CID 67235847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).