2-methyl-2-propylpentane-1,5-diol

C9H20O2 — CID 18956838

IUPAC2-methyl-2-propylpentane-1,5-diol
SMILESCCCC(C)(CO)CCCO
InChIInChI=1S/C9H20O2/c1-3-5-9(2,8-11)6-4-7-10/h10-11H,3-8H2,1-2H3
InChIKeyRPEYNSFZDDEZMT-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.56
Rot. Bonds6

About 2-methyl-2-propylpentane-1,5-diol

2-methyl-2-propylpentane-1,5-diol (PubChem CID 18956838) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-methyl-2-propylpentane-1,5-diol.

Molecular Properties

Compound Name2-methyl-2-propylpentane-1,5-diol
PubChem CID18956838
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name2-methyl-2-propylpentane-1,5-diol
SMILESCCCC(C)(CO)CCCO
InChIInChI=1S/C9H20O2/c1-3-5-9(2,8-11)6-4-7-10/h10-11H,3-8H2,1-2H3
InChIKeyRPEYNSFZDDEZMT-UHFFFAOYSA-N
XLogP1.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)-2-methylpentane-1,5-diol
CID 59271141
2-methyl-2-propyldecan-1-ol
CID 66025468
2-methyl-2-octyltridecan-1-ol
CID 138517447
2-dodecyl-2-methylhexadecan-1-ol
CID 138503707
2-(chloromethyl)-2-methylpentan-1-ol
CID 55303877
2-methyl-2-pentylnonan-1-ol
CID 138503898
5-ethoxy-2-methyl-2-propylpentan-1-ol
CID 66026142
6-methyl-6-pentylundecane-1,11-diol
CID 87660447
4-methyl-4-octyldodecan-1-ol
CID 87375187
2-methyl-5-methylsulfonyl-2-propylpentan-1-ol
CID 66025452
2,11-diethyl-2,11-dimethyldodecane-1,12-diol
CID 3069683
2,9-diethyl-2,9-dimethyldecane-1,10-diol
CID 3069679

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propylpentane-1,5-diol?
The IUPAC name of 2-methyl-2-propylpentane-1,5-diol (CID 18956838) is 2-methyl-2-propylpentane-1,5-diol.
What is the SMILES notation for 2-methyl-2-propylpentane-1,5-diol?
The canonical SMILES for 2-methyl-2-propylpentane-1,5-diol is CCCC(C)(CO)CCCO.
What is the InChIKey of 2-methyl-2-propylpentane-1,5-diol?
The InChIKey is RPEYNSFZDDEZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-3-5-9(2,8-11)6-4-7-10/h10-11H,3-8H2,1-2H3.
What are the key properties of 2-methyl-2-propylpentane-1,5-diol?
2-methyl-2-propylpentane-1,5-diol has a molecular weight of 160.26 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propylpentane-1,5-diol is sourced from PubChem (CID 18956838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).