4-(5-propyl-1,3-dioxan-2-yl)cyclohexan-1-ol

C13H24O3 — CID 86200943

IUPAC4-(5-propyl-1,3-dioxan-2-yl)cyclohexan-1-ol
SMILESCCCC1COC(C2CCC(O)CC2)OC1
InChIInChI=1S/C13H24O3/c1-2-3-10-8-15-13(16-9-10)11-4-6-12(14)7-5-11/h10-14H,2-9H2,1H3
InChIKeyOMLLKWNFTXKPLB-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.33
Rot. Bonds3

About 4-(5-propyl-1,3-dioxan-2-yl)cyclohexan-1-ol

4-(5-propyl-1,3-dioxan-2-yl)cyclohexan-1-ol (PubChem CID 86200943) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 4-(5-propyl-1,3-dioxan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(5-propyl-1,3-dioxan-2-yl)cyclohexan-1-ol
PubChem CID86200943
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name4-(5-propyl-1,3-dioxan-2-yl)cyclohexan-1-ol
SMILESCCCC1COC(C2CCC(O)CC2)OC1
InChIInChI=1S/C13H24O3/c1-2-3-10-8-15-13(16-9-10)11-4-6-12(14)7-5-11/h10-14H,2-9H2,1H3
InChIKeyOMLLKWNFTXKPLB-UHFFFAOYSA-N
XLogP2.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-propyl-1,3-dioxan-2-yl)cyclohexan-1-ol?
The IUPAC name of 4-(5-propyl-1,3-dioxan-2-yl)cyclohexan-1-ol (CID 86200943) is 4-(5-propyl-1,3-dioxan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(5-propyl-1,3-dioxan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(5-propyl-1,3-dioxan-2-yl)cyclohexan-1-ol is CCCC1COC(C2CCC(O)CC2)OC1.
What is the InChIKey of 4-(5-propyl-1,3-dioxan-2-yl)cyclohexan-1-ol?
The InChIKey is OMLLKWNFTXKPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-2-3-10-8-15-13(16-9-10)11-4-6-12(14)7-5-11/h10-14H,2-9H2,1H3.
What are the key properties of 4-(5-propyl-1,3-dioxan-2-yl)cyclohexan-1-ol?
4-(5-propyl-1,3-dioxan-2-yl)cyclohexan-1-ol has a molecular weight of 228.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propyl-1,3-dioxan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 86200943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).