2,2-dimethyloctane-4,4-diol

C10H22O2 — CID 141002541

IUPAC2,2-dimethyloctane-4,4-diol
SMILESCCCCC(O)(O)CC(C)(C)C
InChIInChI=1S/C10H22O2/c1-5-6-7-10(11,12)8-9(2,3)4/h11-12H,5-8H2,1-4H3
InChIKeyVSBKKHILSNJVCZ-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.29
Rot. Bonds4

About 2,2-dimethyloctane-4,4-diol

2,2-dimethyloctane-4,4-diol (PubChem CID 141002541) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2,2-dimethyloctane-4,4-diol.

Molecular Properties

Compound Name2,2-dimethyloctane-4,4-diol
PubChem CID141002541
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2,2-dimethyloctane-4,4-diol
SMILESCCCCC(O)(O)CC(C)(C)C
InChIInChI=1S/C10H22O2/c1-5-6-7-10(11,12)8-9(2,3)4/h11-12H,5-8H2,1-4H3
InChIKeyVSBKKHILSNJVCZ-UHFFFAOYSA-N
XLogP2.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol
CID 156689440
2,2-dimethylhexane
CID 169424592
gold;2-methylhexan-2-ol
CID 18513333
docosane-10,10-diol
CID 20528880
2-methylhexan-2-ol;yttrium
CID 58823506
azane;2,2-dimethylhexane
CID 161105081
octane-3,3-diol
CID 157318438
nonane-3,3-diol
CID 22472104
(E)-5,8-dimethyldodec-6-ene-5,8-diol
CID 22223420
3,3,4,4-tetramethyloctane-2,2-diol
CID 141265863
CID 162309133
CID 162309133
sodium;hydride;3-methylheptan-3-ol
CID 175497399

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyloctane-4,4-diol?
The IUPAC name of 2,2-dimethyloctane-4,4-diol (CID 141002541) is 2,2-dimethyloctane-4,4-diol.
What is the SMILES notation for 2,2-dimethyloctane-4,4-diol?
The canonical SMILES for 2,2-dimethyloctane-4,4-diol is CCCCC(O)(O)CC(C)(C)C.
What is the InChIKey of 2,2-dimethyloctane-4,4-diol?
The InChIKey is VSBKKHILSNJVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-5-6-7-10(11,12)8-9(2,3)4/h11-12H,5-8H2,1-4H3.
What are the key properties of 2,2-dimethyloctane-4,4-diol?
2,2-dimethyloctane-4,4-diol has a molecular weight of 174.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyloctane-4,4-diol is sourced from PubChem (CID 141002541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).