2,7-dimethyloctane-1,8-diol

C10H22O2 — CID 11008425

IUPAC2,7-dimethyloctane-1,8-diol
SMILESCC(CO)CCCCC(C)CO
InChIInChI=1S/C10H22O2/c1-9(7-11)5-3-4-6-10(2)8-12/h9-12H,3-8H2,1-2H3
InChIKeyHDMPSPHLMYRMKD-UHFFFAOYSA-N
MW174.28 g/mol
LogP1.80
Rot. Bonds7

About 2,7-dimethyloctane-1,8-diol

2,7-dimethyloctane-1,8-diol (PubChem CID 11008425) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2,7-dimethyloctane-1,8-diol.

Molecular Properties

Compound Name2,7-dimethyloctane-1,8-diol
PubChem CID11008425
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2,7-dimethyloctane-1,8-diol
SMILESCC(CO)CCCCC(C)CO
InChIInChI=1S/C10H22O2/c1-9(7-11)5-3-4-6-10(2)8-12/h9-12H,3-8H2,1-2H3
InChIKeyHDMPSPHLMYRMKD-UHFFFAOYSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethylheptane-1,7-diol
CID 12653721
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
2-methylhexadecan-1-ol
CID 17218
(2R)-2-methyloctadecan-1-ol
CID 122453872
2-methylhexan-1-ol
CID 159157237
(2S)-8-chloro-2-methyloctan-1-ol
CID 139766830
(2S)-5-amino-2-methylpentan-1-ol
CID 94975378
(2R,6R,10R)-2,6,10,14-tetramethylpentadecan-1-ol
CID 170847769
CID 172712223
CID 172712223
2,6-dimethyldodecan-1-ol
CID 14392571
6-iodo-2-methylheptan-1-ol
CID 167560507
2-methyldodecane-1,8-diol
CID 59660146

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyloctane-1,8-diol?
The IUPAC name of 2,7-dimethyloctane-1,8-diol (CID 11008425) is 2,7-dimethyloctane-1,8-diol.
What is the SMILES notation for 2,7-dimethyloctane-1,8-diol?
The canonical SMILES for 2,7-dimethyloctane-1,8-diol is CC(CO)CCCCC(C)CO.
What is the InChIKey of 2,7-dimethyloctane-1,8-diol?
The InChIKey is HDMPSPHLMYRMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-9(7-11)5-3-4-6-10(2)8-12/h9-12H,3-8H2,1-2H3.
What are the key properties of 2,7-dimethyloctane-1,8-diol?
2,7-dimethyloctane-1,8-diol has a molecular weight of 174.28 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyloctane-1,8-diol is sourced from PubChem (CID 11008425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).