4,6-dimethyl-2-propylheptan-1-ol

C12H26O — CID 122367214

IUPAC4,6-dimethyl-2-propylheptan-1-ol
SMILESCCCC(CO)CC(C)CC(C)C
InChIInChI=1S/C12H26O/c1-5-6-12(9-13)8-11(4)7-10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyAECHPIZWQYDIQG-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.47
Rot. Bonds7

About 4,6-dimethyl-2-propylheptan-1-ol

4,6-dimethyl-2-propylheptan-1-ol (PubChem CID 122367214) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 4,6-dimethyl-2-propylheptan-1-ol.

Molecular Properties

Compound Name4,6-dimethyl-2-propylheptan-1-ol
PubChem CID122367214
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name4,6-dimethyl-2-propylheptan-1-ol
SMILESCCCC(CO)CC(C)CC(C)C
InChIInChI=1S/C12H26O/c1-5-6-12(9-13)8-11(4)7-10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyAECHPIZWQYDIQG-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-6-propylnonane
CID 57492214
(2R,4R)-4-methyl-2-propylhexan-1-ol
CID 92950667
(6S)-6-ethyl-2,4-dimethylnonane
CID 144657446
2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol
CID 10655741
(4R)-4-fluoro-2-propylpentan-1-ol
CID 176624493
2-propan-2-yl-4-propylpentane-1,5-diol
CID 18794987
2-(2-methylpropyl)heptan-1-ol
CID 66058548
2,4,6,8,10-pentamethyltridecane
CID 20715673
2,4,6,8,10,12,14-heptamethylheptadecane
CID 91613417
2,4,6,8,10,12-hexamethylpentadecane
CID 15607000
2-(2-methylpropyl)undecan-1-ol
CID 66059386
4,5,5-trimethyl-2-propylhexan-1-ol
CID 156689445

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-propylheptan-1-ol?
The IUPAC name of 4,6-dimethyl-2-propylheptan-1-ol (CID 122367214) is 4,6-dimethyl-2-propylheptan-1-ol.
What is the SMILES notation for 4,6-dimethyl-2-propylheptan-1-ol?
The canonical SMILES for 4,6-dimethyl-2-propylheptan-1-ol is CCCC(CO)CC(C)CC(C)C.
What is the InChIKey of 4,6-dimethyl-2-propylheptan-1-ol?
The InChIKey is AECHPIZWQYDIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-5-6-12(9-13)8-11(4)7-10(2)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 4,6-dimethyl-2-propylheptan-1-ol?
4,6-dimethyl-2-propylheptan-1-ol has a molecular weight of 186.34 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-propylheptan-1-ol is sourced from PubChem (CID 122367214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).