2,4-dimethyl-3-(oxan-4-yl)pentan-3-ol

C12H24O2 — CID 126978853

IUPAC2,4-dimethyl-3-(oxan-4-yl)pentan-3-ol
SMILESCC(C)C(O)(C(C)C)C1CCOCC1
InChIInChI=1S/C12H24O2/c1-9(2)12(13,10(3)4)11-5-7-14-8-6-11/h9-11,13H,5-8H2,1-4H3
InChIKeyPFDQQUYQGFVANU-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.46
Rot. Bonds3

About 2,4-dimethyl-3-(oxan-4-yl)pentan-3-ol

2,4-dimethyl-3-(oxan-4-yl)pentan-3-ol (PubChem CID 126978853) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2,4-dimethyl-3-(oxan-4-yl)pentan-3-ol.

Molecular Properties

Compound Name2,4-dimethyl-3-(oxan-4-yl)pentan-3-ol
PubChem CID126978853
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2,4-dimethyl-3-(oxan-4-yl)pentan-3-ol
SMILESCC(C)C(O)(C(C)C)C1CCOCC1
InChIInChI=1S/C12H24O2/c1-9(2)12(13,10(3)4)11-5-7-14-8-6-11/h9-11,13H,5-8H2,1-4H3
InChIKeyPFDQQUYQGFVANU-UHFFFAOYSA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-2,4-dimethylpentan-3-ol
CID 130529014
4-(2,3,3,4-tetramethylpentan-2-yl)oxane
CID 178045907
4-amino-3-methyl-2-(oxan-4-yl)butan-2-ol
CID 105442753
2,3-dimethyl-2-(oxan-4-yl)butanamide
CID 126509080
1-cyclohexyl-1-(oxan-4-yl)ethanol
CID 114794901
3,4-dimethyl-2-(oxolan-3-yl)pentan-2-ol
CID 131113950
(2R)-2-hydroxy-2-(oxan-4-yl)propanoic acid
CID 124510328
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol
CID 79899451
3-(aminomethyl)-2-methyl-7-(oxan-4-yl)heptan-3-ol
CID 114191778
2-ethyl-1-(oxan-4-yl)butane-1,2-diol
CID 103449502
3-methyl-3-(oxan-4-yl)butan-2-one
CID 58834303
(3R)-3-hydroxy-3-(oxan-4-yl)butanal
CID 97030759

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(oxan-4-yl)pentan-3-ol?
The IUPAC name of 2,4-dimethyl-3-(oxan-4-yl)pentan-3-ol (CID 126978853) is 2,4-dimethyl-3-(oxan-4-yl)pentan-3-ol.
What is the SMILES notation for 2,4-dimethyl-3-(oxan-4-yl)pentan-3-ol?
The canonical SMILES for 2,4-dimethyl-3-(oxan-4-yl)pentan-3-ol is CC(C)C(O)(C(C)C)C1CCOCC1.
What is the InChIKey of 2,4-dimethyl-3-(oxan-4-yl)pentan-3-ol?
The InChIKey is PFDQQUYQGFVANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-9(2)12(13,10(3)4)11-5-7-14-8-6-11/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 2,4-dimethyl-3-(oxan-4-yl)pentan-3-ol?
2,4-dimethyl-3-(oxan-4-yl)pentan-3-ol has a molecular weight of 200.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(oxan-4-yl)pentan-3-ol is sourced from PubChem (CID 126978853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).