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

C10H18O3 — CID 19863168

IUPAC4-(1,3-dioxan-2-yl)cyclohexan-1-ol
SMILESOC1CCC(C2OCCCO2)CC1
InChIInChI=1S/C10H18O3/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h8-11H,1-7H2
InChIKeyLDPOMTZSXRPIIW-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.30
Rot. Bonds1

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

4-(1,3-dioxan-2-yl)cyclohexan-1-ol (PubChem CID 19863168) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-(1,3-dioxan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(1,3-dioxan-2-yl)cyclohexan-1-ol
PubChem CID19863168
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name4-(1,3-dioxan-2-yl)cyclohexan-1-ol
SMILESOC1CCC(C2OCCCO2)CC1
InChIInChI=1S/C10H18O3/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h8-11H,1-7H2
InChIKeyLDPOMTZSXRPIIW-UHFFFAOYSA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxan-2-yl)cyclohexan-1-ol?
The IUPAC name of 4-(1,3-dioxan-2-yl)cyclohexan-1-ol (CID 19863168) is 4-(1,3-dioxan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(1,3-dioxan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(1,3-dioxan-2-yl)cyclohexan-1-ol is OC1CCC(C2OCCCO2)CC1.
What is the InChIKey of 4-(1,3-dioxan-2-yl)cyclohexan-1-ol?
The InChIKey is LDPOMTZSXRPIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h8-11H,1-7H2.
What are the key properties of 4-(1,3-dioxan-2-yl)cyclohexan-1-ol?
4-(1,3-dioxan-2-yl)cyclohexan-1-ol has a molecular weight of 186.25 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 19863168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).