4-(1,3-dioxolan-2-yl)cyclohexane-1,2-diol

C9H16O4 — CID 70448692

IUPAC4-(1,3-dioxolan-2-yl)cyclohexane-1,2-diol
SMILESOC1CCC(C2OCCO2)CC1O
InChIInChI=1S/C9H16O4/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h6-11H,1-5H2
InChIKeyNRPXECNFXRLRHB-UHFFFAOYSA-N
MW188.22 g/mol
LogP-0.12
Rot. Bonds1

About 4-(1,3-dioxolan-2-yl)cyclohexane-1,2-diol

4-(1,3-dioxolan-2-yl)cyclohexane-1,2-diol (PubChem CID 70448692) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)cyclohexane-1,2-diol.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)cyclohexane-1,2-diol
PubChem CID70448692
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name4-(1,3-dioxolan-2-yl)cyclohexane-1,2-diol
SMILESOC1CCC(C2OCCO2)CC1O
InChIInChI=1S/C9H16O4/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h6-11H,1-5H2
InChIKeyNRPXECNFXRLRHB-UHFFFAOYSA-N
XLogP-0.12
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)cyclohexane-1,2-diol?
The IUPAC name of 4-(1,3-dioxolan-2-yl)cyclohexane-1,2-diol (CID 70448692) is 4-(1,3-dioxolan-2-yl)cyclohexane-1,2-diol.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)cyclohexane-1,2-diol?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)cyclohexane-1,2-diol is OC1CCC(C2OCCO2)CC1O.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)cyclohexane-1,2-diol?
The InChIKey is NRPXECNFXRLRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h6-11H,1-5H2.
What are the key properties of 4-(1,3-dioxolan-2-yl)cyclohexane-1,2-diol?
4-(1,3-dioxolan-2-yl)cyclohexane-1,2-diol has a molecular weight of 188.22 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)cyclohexane-1,2-diol is sourced from PubChem (CID 70448692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).