2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol

C23H50O2 — CID 23057811

IUPAC2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol
SMILESCCCCC(CC)(CO)CCC.CCCCC(CO)(CCC)CCC
InChIInChI=1S/C12H26O.C11H24O/c1-4-7-10-12(11-13,8-5-2)9-6-3;1-4-7-9-11(6-3,10-12)8-5-2/h13H,4-11H2,1-3H3;12H,4-10H2,1-3H3
InChIKeyYEHAZZSKZRGSSM-UHFFFAOYSA-N
MW358.65 g/mol
LogP7.12
Rot. Bonds15

About 2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol

2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol (PubChem CID 23057811) has the molecular formula C23H50O2 and a molecular weight of 358.65 g/mol. Its IUPAC name is 2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol.

Molecular Properties

Compound Name2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol
PubChem CID23057811
Molecular FormulaC23H50O2
Molecular Weight358.65 g/mol
Exact Mass358.38
IUPAC Name2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol
SMILESCCCCC(CC)(CO)CCC.CCCCC(CO)(CCC)CCC
InChIInChI=1S/C12H26O.C11H24O/c1-4-7-10-12(11-13,8-5-2)9-6-3;1-4-7-9-11(6-3,10-12)8-5-2/h13H,4-11H2,1-3H3;12H,4-10H2,1-3H3
InChIKeyYEHAZZSKZRGSSM-UHFFFAOYSA-N
XLogP7.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dibutylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
CID 159748951
2-butyl-2-ethylpropane-1,3-diol
CID 87084275
2-butyl-2-propylheptane-1,7-diol
CID 151269549
2-butyl-2-ethyl-5,5-dimethylhexan-1-ol
CID 66057661
2-pentyl-2-propylpropane-1,3-diol
CID 18188395
3,3-diethylhexane;2,2-diethylpentan-1-ol
CID 159667667
4,4-diethyloctane;ethane
CID 177031380
2-(iodomethyl)-2-propylhexan-1-ol
CID 154188986
2-butyl-2-ethylpropane-1,3-diol;nonane-1,9-diol
CID 157049942
2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol
CID 156689440
2,2-dioctyldecan-1-ol
CID 87374856
2,2-di(undecyl)tridecan-1-ol
CID 176610401

Frequently Asked Questions

What is the IUPAC name of 2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol?
The IUPAC name of 2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol (CID 23057811) is 2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol.
What is the SMILES notation for 2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol?
The canonical SMILES for 2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol is CCCCC(CC)(CO)CCC.CCCCC(CO)(CCC)CCC.
What is the InChIKey of 2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol?
The InChIKey is YEHAZZSKZRGSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.C11H24O/c1-4-7-10-12(11-13,8-5-2)9-6-3;1-4-7-9-11(6-3,10-12)8-5-2/h13H,4-11H2,1-3H3;12H,4-10H2,1-3H3.
What are the key properties of 2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol?
2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol has a molecular weight of 358.65 g/mol, XLogP of 7.12, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol is sourced from PubChem (CID 23057811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).