4-methyl-2-propylpentane-1,3-diol

C9H20O2 — CID 176549638

IUPAC4-methyl-2-propylpentane-1,3-diol
SMILESCCCC(CO)C(O)C(C)C
InChIInChI=1S/C9H20O2/c1-4-5-8(6-10)9(11)7(2)3/h7-11H,4-6H2,1-3H3
InChIKeyGEIKLUXUPQUKSM-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.41
Rot. Bonds5

About 4-methyl-2-propylpentane-1,3-diol

4-methyl-2-propylpentane-1,3-diol (PubChem CID 176549638) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 4-methyl-2-propylpentane-1,3-diol.

Molecular Properties

Compound Name4-methyl-2-propylpentane-1,3-diol
PubChem CID176549638
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name4-methyl-2-propylpentane-1,3-diol
SMILESCCCC(CO)C(O)C(C)C
InChIInChI=1S/C9H20O2/c1-4-5-8(6-10)9(11)7(2)3/h7-11H,4-6H2,1-3H3
InChIKeyGEIKLUXUPQUKSM-UHFFFAOYSA-N
XLogP1.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1-aminoethyl]pentan-1-ol
CID 163501333
2-butyl-3-propylbutane-1,4-diol
CID 87266771
2-propan-2-yl-4-propylpentane-1,5-diol
CID 18794987
5-propan-2-yloctan-2-ol
CID 123351457
(2S,3R)-2-amino-3-propylbutane-1,4-diol
CID 10820698
2,4-dimethyloctane-3,5-diol
CID 164810304
2-propylpentane-1,1-diol
CID 87788314
5-methyl-2-(3-methylbutan-2-yl)octan-1-ol
CID 23315972
5-(aminomethyl)-2,3-dimethyloctan-4-ol
CID 79411447
(2S)-2-amino-3-propylhexan-1-ol
CID 154703433
2,4-dimethyloctane-3,5-diol;scandium
CID 164810303
(2S)-2-propan-2-ylheptan-1-ol
CID 122598639

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propylpentane-1,3-diol?
The IUPAC name of 4-methyl-2-propylpentane-1,3-diol (CID 176549638) is 4-methyl-2-propylpentane-1,3-diol.
What is the SMILES notation for 4-methyl-2-propylpentane-1,3-diol?
The canonical SMILES for 4-methyl-2-propylpentane-1,3-diol is CCCC(CO)C(O)C(C)C.
What is the InChIKey of 4-methyl-2-propylpentane-1,3-diol?
The InChIKey is GEIKLUXUPQUKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-4-5-8(6-10)9(11)7(2)3/h7-11H,4-6H2,1-3H3.
What are the key properties of 4-methyl-2-propylpentane-1,3-diol?
4-methyl-2-propylpentane-1,3-diol has a molecular weight of 160.26 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propylpentane-1,3-diol is sourced from PubChem (CID 176549638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).