2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol

C12H26O2 — CID 10655741

IUPAC2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol
SMILESCCC[C@@H](C)C[C@@H](C)CC(CO)CO
InChIInChI=1S/C12H26O2/c1-4-5-10(2)6-11(3)7-12(8-13)9-14/h10-14H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyHANKDRYIMQEFKY-GHMZBOCLSA-N
MW202.34 g/mol
LogP2.44
Rot. Bonds8

About 2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol

2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol (PubChem CID 10655741) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol
PubChem CID10655741
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol
SMILESCCC[C@@H](C)C[C@@H](C)CC(CO)CO
InChIInChI=1S/C12H26O2/c1-4-5-10(2)6-11(3)7-12(8-13)9-14/h10-14H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyHANKDRYIMQEFKY-GHMZBOCLSA-N
XLogP2.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dimethyl-2-propylheptan-1-ol
CID 122367214
7-ethyl-3,5,9-trimethyldodecane
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4,6,8,10-tetramethyltridecan-1-ol
CID 172545129
(2R,4R)-4-methyl-2-propylhexan-1-ol
CID 92950667
[(4R,6S)-2-(hydroxymethyl)-4,6-dimethylnonyl] 2-bromopropanoate
CID 10568923
2,4,6,8,10,12-hexamethylpentadecane
CID 15607000
2,4,6,8,10,12,14-heptamethylheptadecane
CID 91613417
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
3,5,7,9-tetramethyldodecane
CID 91047062
2,4,6,8,10-pentamethyltridecane
CID 20715673
8-ethyl-4,6-dimethyldodecane
CID 123186055
2-chloro-4-methylheptan-1-ol
CID 175124867

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol?
The IUPAC name of 2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol (CID 10655741) is 2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol.
What is the SMILES notation for 2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol?
The canonical SMILES for 2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol is CCC[C@@H](C)C[C@@H](C)CC(CO)CO.
What is the InChIKey of 2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol?
The InChIKey is HANKDRYIMQEFKY-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H26O2/c1-4-5-10(2)6-11(3)7-12(8-13)9-14/h10-14H,4-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of 2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol?
2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol has a molecular weight of 202.34 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol is sourced from PubChem (CID 10655741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).