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

C9H16O3 — CID 14296101

IUPAC4-(1,3-dioxolan-2-yl)cyclohexan-1-ol
SMILESOC1CCC(C2OCCO2)CC1
InChIInChI=1S/C9H16O3/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h7-10H,1-6H2
InChIKeyZKIGCBWVERTPFP-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.91
Rot. Bonds1

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

4-(1,3-dioxolan-2-yl)cyclohexan-1-ol (PubChem CID 14296101) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)cyclohexan-1-ol
PubChem CID14296101
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name4-(1,3-dioxolan-2-yl)cyclohexan-1-ol
SMILESOC1CCC(C2OCCO2)CC1
InChIInChI=1S/C9H16O3/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h7-10H,1-6H2
InChIKeyZKIGCBWVERTPFP-UHFFFAOYSA-N
XLogP0.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)cyclohexan-1-ol?
The IUPAC name of 4-(1,3-dioxolan-2-yl)cyclohexan-1-ol (CID 14296101) is 4-(1,3-dioxolan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)cyclohexan-1-ol is OC1CCC(C2OCCO2)CC1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)cyclohexan-1-ol?
The InChIKey is ZKIGCBWVERTPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h7-10H,1-6H2.
What are the key properties of 4-(1,3-dioxolan-2-yl)cyclohexan-1-ol?
4-(1,3-dioxolan-2-yl)cyclohexan-1-ol has a molecular weight of 172.22 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 14296101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).