2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol

C13H26O2 — CID 551403

IUPAC2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol
SMILESCC(C)(C)C(O)(C1CCCO1)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-11(2,3)13(14,12(4,5)6)10-8-7-9-15-10/h10,14H,7-9H2,1-6H3
InChIKeyKOJZFWZJVJGGDS-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.99
Rot. Bonds1

About 2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol

2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol (PubChem CID 551403) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol
PubChem CID551403
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol
SMILESCC(C)(C)C(O)(C1CCCO1)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-11(2,3)13(14,12(4,5)6)10-8-7-9-15-10/h10,14H,7-9H2,1-6H3
InChIKeyKOJZFWZJVJGGDS-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol
CID 89068349
(2R)-2-[(2S)-oxolan-2-yl]butan-2-ol
CID 10012031
1-(methylamino)-2-(oxolan-2-yl)propan-2-ol
CID 131118863
2-methyl-2-[(2S)-oxolan-2-yl]propanoic acid
CID 129368356
(2S)-2-tert-butyloxane
CID 118633229
1-amino-2-(oxan-2-yl)propan-2-ol
CID 139026645
O-[2-(oxolan-2-yl)propan-2-yl]hydroxylamine
CID 117104720
1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine
CID 57486602
1-(oxan-2-yl)-1-phenylethanol
CID 102596007
2-[2-(oxolan-2-yl)heptan-2-yl]oxolane
CID 141391845
1-(1-chloroethoxy)-1-(oxan-2-yl)ethanol
CID 20523019
2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid
CID 99640388

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol?
The IUPAC name of 2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol (CID 551403) is 2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol.
What is the SMILES notation for 2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol?
The canonical SMILES for 2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol is CC(C)(C)C(O)(C1CCCO1)C(C)(C)C.
What is the InChIKey of 2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol?
The InChIKey is KOJZFWZJVJGGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-11(2,3)13(14,12(4,5)6)10-8-7-9-15-10/h10,14H,7-9H2,1-6H3.
What are the key properties of 2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol?
2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol has a molecular weight of 214.35 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol is sourced from PubChem (CID 551403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).