(2R,4R)-4-methyl-2-propylhexan-1-ol

C10H22O — CID 92950667

IUPAC(2R,4R)-4-methyl-2-propylhexan-1-ol
SMILESCCC[C@@H](CO)C[C@H](C)CC
InChIInChI=1S/C10H22O/c1-4-6-10(8-11)7-9(3)5-2/h9-11H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyVZXWJVFQXZUFQS-NXEZZACHSA-N
MW158.28 g/mol
LogP2.83
Rot. Bonds6

About (2R,4R)-4-methyl-2-propylhexan-1-ol

(2R,4R)-4-methyl-2-propylhexan-1-ol (PubChem CID 92950667) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is (2R,4R)-4-methyl-2-propylhexan-1-ol.

Molecular Properties

Compound Name(2R,4R)-4-methyl-2-propylhexan-1-ol
PubChem CID92950667
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name(2R,4R)-4-methyl-2-propylhexan-1-ol
SMILESCCC[C@@H](CO)C[C@H](C)CC
InChIInChI=1S/C10H22O/c1-4-6-10(8-11)7-9(3)5-2/h9-11H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyVZXWJVFQXZUFQS-NXEZZACHSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-dimethyl-2-propylheptan-1-ol
CID 122367214
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
4,5,5-trimethyl-2-propylhexan-1-ol
CID 156689445
7-ethyl-3,5,9-trimethyldodecane
CID 123315944
5-ethyl-7-methylnonane-1,2-diol
CID 87744088
4-ethyl-2-pentylheptan-1-ol
CID 23315856
2-ethyl-4-methylnonan-1-ol
CID 21358744
(5S)-3-ethyl-5-methylheptane
CID 59094044
5-ethyl-3-methyloctane-1,1-diol
CID 175418461
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-methyl-2-propylhexan-1-ol?
The IUPAC name of (2R,4R)-4-methyl-2-propylhexan-1-ol (CID 92950667) is (2R,4R)-4-methyl-2-propylhexan-1-ol.
What is the SMILES notation for (2R,4R)-4-methyl-2-propylhexan-1-ol?
The canonical SMILES for (2R,4R)-4-methyl-2-propylhexan-1-ol is CCC[C@@H](CO)C[C@H](C)CC.
What is the InChIKey of (2R,4R)-4-methyl-2-propylhexan-1-ol?
The InChIKey is VZXWJVFQXZUFQS-NXEZZACHSA-N. The full InChI is InChI=1S/C10H22O/c1-4-6-10(8-11)7-9(3)5-2/h9-11H,4-8H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-4-methyl-2-propylhexan-1-ol?
(2R,4R)-4-methyl-2-propylhexan-1-ol has a molecular weight of 158.28 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-methyl-2-propylhexan-1-ol is sourced from PubChem (CID 92950667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).