carbonic acid;[4-(hydroxymethyl)cyclohexyl]methanol

C9H18O5 — CID 69382319

IUPACcarbonic acid;[4-(hydroxymethyl)cyclohexyl]methanol
SMILESO=C(O)O.OCC1CCC(CO)CC1
InChIInChI=1S/C8H16O2.CH2O3/c9-5-7-1-2-8(6-10)4-3-7;2-1(3)4/h7-10H,1-6H2;(H2,2,3,4)
InChIKeyWSJCBMAHJRRJRX-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.00
Rot. Bonds2

About carbonic acid;[4-(hydroxymethyl)cyclohexyl]methanol

carbonic acid;[4-(hydroxymethyl)cyclohexyl]methanol (PubChem CID 69382319) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is carbonic acid;[4-(hydroxymethyl)cyclohexyl]methanol.

Molecular Properties

Compound Namecarbonic acid;[4-(hydroxymethyl)cyclohexyl]methanol
PubChem CID69382319
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Namecarbonic acid;[4-(hydroxymethyl)cyclohexyl]methanol
SMILESO=C(O)O.OCC1CCC(CO)CC1
InChIInChI=1S/C8H16O2.CH2O3/c9-5-7-1-2-8(6-10)4-3-7;2-1(3)4/h7-10H,1-6H2;(H2,2,3,4)
InChIKeyWSJCBMAHJRRJRX-UHFFFAOYSA-N
XLogP1.00
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze carbonic acid;[4-(hydroxymethyl)cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbonic acid;[4-(hydroxymethyl)cyclohexyl]methanol?
The IUPAC name of carbonic acid;[4-(hydroxymethyl)cyclohexyl]methanol (CID 69382319) is carbonic acid;[4-(hydroxymethyl)cyclohexyl]methanol.
What is the SMILES notation for carbonic acid;[4-(hydroxymethyl)cyclohexyl]methanol?
The canonical SMILES for carbonic acid;[4-(hydroxymethyl)cyclohexyl]methanol is O=C(O)O.OCC1CCC(CO)CC1.
What is the InChIKey of carbonic acid;[4-(hydroxymethyl)cyclohexyl]methanol?
The InChIKey is WSJCBMAHJRRJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.CH2O3/c9-5-7-1-2-8(6-10)4-3-7;2-1(3)4/h7-10H,1-6H2;(H2,2,3,4).
What are the key properties of carbonic acid;[4-(hydroxymethyl)cyclohexyl]methanol?
carbonic acid;[4-(hydroxymethyl)cyclohexyl]methanol has a molecular weight of 206.24 g/mol, XLogP of 1.00, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;[4-(hydroxymethyl)cyclohexyl]methanol is sourced from PubChem (CID 69382319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).