1-(hydroxymethyl)cyclooctane-1,5-diol

C9H18O3 — CID 11816153

IUPAC1-(hydroxymethyl)cyclooctane-1,5-diol
SMILESOCC1(O)CCCC(O)CCC1
InChIInChI=1S/C9H18O3/c10-7-9(12)5-1-3-8(11)4-2-6-9/h8,10-12H,1-7H2
InChIKeyXGIJCPWAZUWKSM-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.42
Rot. Bonds1

About 1-(hydroxymethyl)cyclooctane-1,5-diol

1-(hydroxymethyl)cyclooctane-1,5-diol (PubChem CID 11816153) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(hydroxymethyl)cyclooctane-1,5-diol.

Molecular Properties

Compound Name1-(hydroxymethyl)cyclooctane-1,5-diol
PubChem CID11816153
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name1-(hydroxymethyl)cyclooctane-1,5-diol
SMILESOCC1(O)CCCC(O)CCC1
InChIInChI=1S/C9H18O3/c10-7-9(12)5-1-3-8(11)4-2-6-9/h8,10-12H,1-7H2
InChIKeyXGIJCPWAZUWKSM-UHFFFAOYSA-N
XLogP0.42
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(hydroxymethyl)cyclooctane-1,5-diol with MolForge

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

Launch Full Analysis

Related Compounds

4-ethyl-1-(hydroxymethyl)cycloheptan-1-ol
CID 82713966
cis-(1R,3R)-1-propylcyclohexane-1,3-diol
CID 172696211
cis-(1R,3S)-1-prop-2-ynylcyclohexane-1,3-diol
CID 13197750
1-[(1-hydroxycyclopentyl)methyl]piperidin-4-ol
CID 65213146
1-(hydroxymethyl)cyclobutan-1-ol;methylidenecyclobutane
CID 158667132
5,5-dimethylcyclononan-1-ol
CID 130122952
4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
CID 103881245
(1S,2S,3R)-1-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 100932205
4,4-difluorocycloheptan-1-ol
CID 155821204
1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol
CID 103625161
pentakis(cyclopentanol);hafnium
CID 142301948
cyclopentanol;hafnium
CID 150405183

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)cyclooctane-1,5-diol?
The IUPAC name of 1-(hydroxymethyl)cyclooctane-1,5-diol (CID 11816153) is 1-(hydroxymethyl)cyclooctane-1,5-diol.
What is the SMILES notation for 1-(hydroxymethyl)cyclooctane-1,5-diol?
The canonical SMILES for 1-(hydroxymethyl)cyclooctane-1,5-diol is OCC1(O)CCCC(O)CCC1.
What is the InChIKey of 1-(hydroxymethyl)cyclooctane-1,5-diol?
The InChIKey is XGIJCPWAZUWKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c10-7-9(12)5-1-3-8(11)4-2-6-9/h8,10-12H,1-7H2.
What are the key properties of 1-(hydroxymethyl)cyclooctane-1,5-diol?
1-(hydroxymethyl)cyclooctane-1,5-diol has a molecular weight of 174.24 g/mol, XLogP of 0.42, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)cyclooctane-1,5-diol is sourced from PubChem (CID 11816153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).