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

C10H22O2 — CID 19375233

IUPAC2,4-dimethyl-2-propylpentane-1,3-diol
SMILESCCCC(C)(CO)C(O)C(C)C
InChIInChI=1S/C10H22O2/c1-5-6-10(4,7-11)9(12)8(2)3/h8-9,11-12H,5-7H2,1-4H3
InChIKeyJMLPRMPYHHISGM-UHFFFAOYSA-N
MW174.28 g/mol
LogP1.80
Rot. Bonds5

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

2,4-dimethyl-2-propylpentane-1,3-diol (PubChem CID 19375233) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2,4-dimethyl-2-propylpentane-1,3-diol.

Molecular Properties

Compound Name2,4-dimethyl-2-propylpentane-1,3-diol
PubChem CID19375233
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2,4-dimethyl-2-propylpentane-1,3-diol
SMILESCCCC(C)(CO)C(O)C(C)C
InChIInChI=1S/C10H22O2/c1-5-6-10(4,7-11)9(12)8(2)3/h8-9,11-12H,5-7H2,1-4H3
InChIKeyJMLPRMPYHHISGM-UHFFFAOYSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-propylhexan-2-ol
CID 20501676
2-methylpropane;2,2,4-trimethylpentane-1,3-diol
CID 160920366
2,2,4-trimethylpentane-1,3-diol;hydrate
CID 176902266
2,4,4-trimethyloctan-3-ol
CID 57242612
3-methyl-3-propyloctan-2-ol
CID 20501793
3,5-dimethyl-3-propylhexan-2-ol
CID 20501854
2-butyl-2-ethyl-4-methylpentane-1,3-diol
CID 19375182
2-methyl-2-pentylpropane-1,1,3-triol
CID 19814201
2-but-1-enyl-2,4-dimethyl-4-propylpentane-1,3,5-triol
CID 123536516
2-butyl-2-methylpentane-1,3-diol
CID 14742514
2-methyl-2-propan-2-ylbutane-1,4-diol
CID 54159486
(3S)-3-ethyl-2,3-dimethylhexane
CID 158040075

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-propylpentane-1,3-diol?
The IUPAC name of 2,4-dimethyl-2-propylpentane-1,3-diol (CID 19375233) is 2,4-dimethyl-2-propylpentane-1,3-diol.
What is the SMILES notation for 2,4-dimethyl-2-propylpentane-1,3-diol?
The canonical SMILES for 2,4-dimethyl-2-propylpentane-1,3-diol is CCCC(C)(CO)C(O)C(C)C.
What is the InChIKey of 2,4-dimethyl-2-propylpentane-1,3-diol?
The InChIKey is JMLPRMPYHHISGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-5-6-10(4,7-11)9(12)8(2)3/h8-9,11-12H,5-7H2,1-4H3.
What are the key properties of 2,4-dimethyl-2-propylpentane-1,3-diol?
2,4-dimethyl-2-propylpentane-1,3-diol has a molecular weight of 174.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-propylpentane-1,3-diol is sourced from PubChem (CID 19375233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).