2-(4,4-dimethylpentyl)-2-(hydroxymethyl)propane-1,3-diol

C11H24O3 — CID 141028756

IUPAC2-(4,4-dimethylpentyl)-2-(hydroxymethyl)propane-1,3-diol
SMILESCC(C)(C)CCCC(CO)(CO)CO
InChIInChI=1S/C11H24O3/c1-10(2,3)5-4-6-11(7-12,8-13)9-14/h12-14H,4-9H2,1-3H3
InChIKeyWIUGOONOCHXLQV-UHFFFAOYSA-N
MW204.31 g/mol
LogP1.17
Rot. Bonds6

About 2-(4,4-dimethylpentyl)-2-(hydroxymethyl)propane-1,3-diol

2-(4,4-dimethylpentyl)-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 141028756) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-(4,4-dimethylpentyl)-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(4,4-dimethylpentyl)-2-(hydroxymethyl)propane-1,3-diol
PubChem CID141028756
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name2-(4,4-dimethylpentyl)-2-(hydroxymethyl)propane-1,3-diol
SMILESCC(C)(C)CCCC(CO)(CO)CO
InChIInChI=1S/C11H24O3/c1-10(2,3)5-4-6-11(7-12,8-13)9-14/h12-14H,4-9H2,1-3H3
InChIKeyWIUGOONOCHXLQV-UHFFFAOYSA-N
XLogP1.17
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-bis(hydroxymethyl)pentane-1,5-diol
CID 22166298
2-butyl-2-ethyl-5,5-dimethylhexan-1-ol
CID 66057661
barium(2+);hydride;2,2,6,6-tetramethylheptane
CID 173027218
molecular hydrogen;2,2,6,6-tetramethylheptane
CID 169194475
sulfuric acid;2,2,6,6-tetramethylheptane
CID 175200152
4,4-dimethylpentan-1-ol;tungsten
CID 140674577
2,2-bis(hydroxymethyl)-8,8-dimethyldecane-1,9,9-triol
CID 88650438
2,6-didodecyl-2,6-bis(hydroxymethyl)heptane-1,7-diol
CID 142452979
3-chloro-2,2,7,7-tetramethyloctane
CID 63460555
2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane
CID 157350267
2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol
CID 156689440
3,4,8,8-tetramethylnonan-1-ol
CID 58843211

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpentyl)-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-(4,4-dimethylpentyl)-2-(hydroxymethyl)propane-1,3-diol (CID 141028756) is 2-(4,4-dimethylpentyl)-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-(4,4-dimethylpentyl)-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-(4,4-dimethylpentyl)-2-(hydroxymethyl)propane-1,3-diol is CC(C)(C)CCCC(CO)(CO)CO.
What is the InChIKey of 2-(4,4-dimethylpentyl)-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is WIUGOONOCHXLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3/c1-10(2,3)5-4-6-11(7-12,8-13)9-14/h12-14H,4-9H2,1-3H3.
What are the key properties of 2-(4,4-dimethylpentyl)-2-(hydroxymethyl)propane-1,3-diol?
2-(4,4-dimethylpentyl)-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 204.31 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpentyl)-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 141028756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).