2-cyclohexyl-3-(2-cyclohexyl-3-hydroxyprop-1-enoxy)prop-2-en-1-ol

C18H30O3 — CID 70228798

IUPAC2-cyclohexyl-3-(2-cyclohexyl-3-hydroxyprop-1-enoxy)prop-2-en-1-ol
SMILESOCC(=COC=C(CO)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H30O3/c19-11-17(15-7-3-1-4-8-15)13-21-14-18(12-20)16-9-5-2-6-10-16/h13-16,19-20H,1-12H2
InChIKeyOYDAMYYMASBPIQ-UHFFFAOYSA-N
MW294.43 g/mol
LogP3.92
Rot. Bonds6

About 2-cyclohexyl-3-(2-cyclohexyl-3-hydroxyprop-1-enoxy)prop-2-en-1-ol

2-cyclohexyl-3-(2-cyclohexyl-3-hydroxyprop-1-enoxy)prop-2-en-1-ol (PubChem CID 70228798) has the molecular formula C18H30O3 and a molecular weight of 294.43 g/mol. Its IUPAC name is 2-cyclohexyl-3-(2-cyclohexyl-3-hydroxyprop-1-enoxy)prop-2-en-1-ol.

Molecular Properties

Compound Name2-cyclohexyl-3-(2-cyclohexyl-3-hydroxyprop-1-enoxy)prop-2-en-1-ol
PubChem CID70228798
Molecular FormulaC18H30O3
Molecular Weight294.43 g/mol
Exact Mass294.22
IUPAC Name2-cyclohexyl-3-(2-cyclohexyl-3-hydroxyprop-1-enoxy)prop-2-en-1-ol
SMILESOCC(=COC=C(CO)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H30O3/c19-11-17(15-7-3-1-4-8-15)13-21-14-18(12-20)16-9-5-2-6-10-16/h13-16,19-20H,1-12H2
InChIKeyOYDAMYYMASBPIQ-UHFFFAOYSA-N
XLogP3.92
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-(2-cyclohexyl-3-hydroxyprop-1-enoxy)prop-2-en-1-ol?
The IUPAC name of 2-cyclohexyl-3-(2-cyclohexyl-3-hydroxyprop-1-enoxy)prop-2-en-1-ol (CID 70228798) is 2-cyclohexyl-3-(2-cyclohexyl-3-hydroxyprop-1-enoxy)prop-2-en-1-ol.
What is the SMILES notation for 2-cyclohexyl-3-(2-cyclohexyl-3-hydroxyprop-1-enoxy)prop-2-en-1-ol?
The canonical SMILES for 2-cyclohexyl-3-(2-cyclohexyl-3-hydroxyprop-1-enoxy)prop-2-en-1-ol is OCC(=COC=C(CO)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-(2-cyclohexyl-3-hydroxyprop-1-enoxy)prop-2-en-1-ol?
The InChIKey is OYDAMYYMASBPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c19-11-17(15-7-3-1-4-8-15)13-21-14-18(12-20)16-9-5-2-6-10-16/h13-16,19-20H,1-12H2.
What are the key properties of 2-cyclohexyl-3-(2-cyclohexyl-3-hydroxyprop-1-enoxy)prop-2-en-1-ol?
2-cyclohexyl-3-(2-cyclohexyl-3-hydroxyprop-1-enoxy)prop-2-en-1-ol has a molecular weight of 294.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-(2-cyclohexyl-3-hydroxyprop-1-enoxy)prop-2-en-1-ol is sourced from PubChem (CID 70228798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).