2,4-dimethyl-3-propylhexane-2,3-diol

C11H24O2 — CID 69305500

IUPAC2,4-dimethyl-3-propylhexane-2,3-diol
SMILESCCCC(O)(C(C)CC)C(C)(C)O
InChIInChI=1S/C11H24O2/c1-6-8-11(13,9(3)7-2)10(4,5)12/h9,12-13H,6-8H2,1-5H3
InChIKeyVQYDDNSBSDXBLF-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.33
Rot. Bonds5

About 2,4-dimethyl-3-propylhexane-2,3-diol

2,4-dimethyl-3-propylhexane-2,3-diol (PubChem CID 69305500) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2,4-dimethyl-3-propylhexane-2,3-diol.

Molecular Properties

Compound Name2,4-dimethyl-3-propylhexane-2,3-diol
PubChem CID69305500
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name2,4-dimethyl-3-propylhexane-2,3-diol
SMILESCCCC(O)(C(C)CC)C(C)(C)O
InChIInChI=1S/C11H24O2/c1-6-8-11(13,9(3)7-2)10(4,5)12/h9,12-13H,6-8H2,1-5H3
InChIKeyVQYDDNSBSDXBLF-UHFFFAOYSA-N
XLogP2.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol
CID 59910933
2,3,4-trimethylhexane-2,3-diol
CID 12714107
8-chloro-3,3,5-trimethyl-4-propyldecan-4-ol
CID 88588584
3-ethyl-2,4-dimethylpentane-2,3-diol
CID 23384901
(3R,4R)-2,2,3,4-tetramethylhexan-3-ol
CID 170849873
4,4-diethyl-3-methylheptane
CID 53425832
2-methylpentane-2,4-diol;2-methyl-2-propylpropane-1,3-diol
CID 88709547
butane-1,1,1-triol;hydrochloride
CID 140976874
2,4,4,5-tetramethylheptan-2-ol
CID 123728080
3,3,4,5-tetramethylheptan-4-ol
CID 22899418
3-methyl-3-propylhexan-2-ol
CID 20501676
pentakis(butan-2-ol);molybdenum
CID 152613437

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-propylhexane-2,3-diol?
The IUPAC name of 2,4-dimethyl-3-propylhexane-2,3-diol (CID 69305500) is 2,4-dimethyl-3-propylhexane-2,3-diol.
What is the SMILES notation for 2,4-dimethyl-3-propylhexane-2,3-diol?
The canonical SMILES for 2,4-dimethyl-3-propylhexane-2,3-diol is CCCC(O)(C(C)CC)C(C)(C)O.
What is the InChIKey of 2,4-dimethyl-3-propylhexane-2,3-diol?
The InChIKey is VQYDDNSBSDXBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-6-8-11(13,9(3)7-2)10(4,5)12/h9,12-13H,6-8H2,1-5H3.
What are the key properties of 2,4-dimethyl-3-propylhexane-2,3-diol?
2,4-dimethyl-3-propylhexane-2,3-diol has a molecular weight of 188.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-propylhexane-2,3-diol is sourced from PubChem (CID 69305500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).