2-butyl-2-methylpentane-1,3-diol

C10H22O2 — CID 14742514

IUPAC2-butyl-2-methylpentane-1,3-diol
SMILESCCCCC(C)(CO)C(O)CC
InChIInChI=1S/C10H22O2/c1-4-6-7-10(3,8-11)9(12)5-2/h9,11-12H,4-8H2,1-3H3
InChIKeyAPOONVFBNALMDL-UHFFFAOYSA-N
MW174.28 g/mol
LogP1.95
Rot. Bonds6

About 2-butyl-2-methylpentane-1,3-diol

2-butyl-2-methylpentane-1,3-diol (PubChem CID 14742514) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2-butyl-2-methylpentane-1,3-diol.

Molecular Properties

Compound Name2-butyl-2-methylpentane-1,3-diol
PubChem CID14742514
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2-butyl-2-methylpentane-1,3-diol
SMILESCCCCC(C)(CO)C(O)CC
InChIInChI=1S/C10H22O2/c1-4-6-7-10(3,8-11)9(12)5-2/h9,11-12H,4-8H2,1-3H3
InChIKeyAPOONVFBNALMDL-UHFFFAOYSA-N
XLogP1.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-pentylpropane-1,1,3-triol
CID 19814201
2-butyl-2-ethylpentane-1,3-diol
CID 18330697
4,4-dimethylhexadecan-3-ol
CID 168719984
5-butan-2-yl-5-methylnonan-3-ol
CID 91506526
2,2-dimethylheptane-1,3-diol
CID 57266054
3-methyl-3-propyloctan-2-ol
CID 20501793
(3R)-3-methyl-3-propan-2-ylheptan-2-ol
CID 126716836
2,2-bis(hydroxymethyl)pentane-1,3-diol
CID 23108303
CID 175323655
CID 175323655
(3S)-3-amino-4-ethyl-4-methyloctan-2-ol
CID 88936952
2,4-dimethyl-2-propylpentane-1,3-diol
CID 19375233
3,3-dimethylheptane;ethane-1,2-diol
CID 90284341

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-methylpentane-1,3-diol?
The IUPAC name of 2-butyl-2-methylpentane-1,3-diol (CID 14742514) is 2-butyl-2-methylpentane-1,3-diol.
What is the SMILES notation for 2-butyl-2-methylpentane-1,3-diol?
The canonical SMILES for 2-butyl-2-methylpentane-1,3-diol is CCCCC(C)(CO)C(O)CC.
What is the InChIKey of 2-butyl-2-methylpentane-1,3-diol?
The InChIKey is APOONVFBNALMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-4-6-7-10(3,8-11)9(12)5-2/h9,11-12H,4-8H2,1-3H3.
What are the key properties of 2-butyl-2-methylpentane-1,3-diol?
2-butyl-2-methylpentane-1,3-diol has a molecular weight of 174.28 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-methylpentane-1,3-diol is sourced from PubChem (CID 14742514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).