2-(2-methylpentan-3-yl)-1,3-dioxane

C10H20O2 — CID 170568150

IUPAC2-(2-methylpentan-3-yl)-1,3-dioxane
SMILESCCC(C(C)C)C1OCCCO1
InChIInChI=1S/C10H20O2/c1-4-9(8(2)3)10-11-6-5-7-12-10/h8-10H,4-7H2,1-3H3
InChIKeyQRCUUFRMUPETLI-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.43
Rot. Bonds3

About 2-(2-methylpentan-3-yl)-1,3-dioxane

2-(2-methylpentan-3-yl)-1,3-dioxane (PubChem CID 170568150) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(2-methylpentan-3-yl)-1,3-dioxane.

Molecular Properties

Compound Name2-(2-methylpentan-3-yl)-1,3-dioxane
PubChem CID170568150
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-(2-methylpentan-3-yl)-1,3-dioxane
SMILESCCC(C(C)C)C1OCCCO1
InChIInChI=1S/C10H20O2/c1-4-9(8(2)3)10-11-6-5-7-12-10/h8-10H,4-7H2,1-3H3
InChIKeyQRCUUFRMUPETLI-UHFFFAOYSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-1,3-dioxane
CID 20509708
1-(1,3-dioxan-2-yl)ethanethiol
CID 144550706
(2R)-2-(1,3-dioxan-2-yl)propan-1-amine
CID 94252080
1,2-bis(2-methylpentan-3-yl)cyclopentane
CID 91097416
magnesium;2-(1-bromoethyl)-1,3-dioxane;hydride
CID 173097852
2-heptan-3-yl-1,3-dioxepane
CID 71392815
1-(1,3-dioxan-2-yl)butan-2-ol
CID 130148324
2-dodecan-5-yl-1,3-dioxane
CID 174238614
(2S)-1-(1,3-dioxan-2-yl)propan-2-ol
CID 14290520
2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane
CID 157085874
1-(1,3-dioxan-2-yl)propan-2-amine
CID 82111184
1-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 174559925

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-3-yl)-1,3-dioxane?
The IUPAC name of 2-(2-methylpentan-3-yl)-1,3-dioxane (CID 170568150) is 2-(2-methylpentan-3-yl)-1,3-dioxane.
What is the SMILES notation for 2-(2-methylpentan-3-yl)-1,3-dioxane?
The canonical SMILES for 2-(2-methylpentan-3-yl)-1,3-dioxane is CCC(C(C)C)C1OCCCO1.
What is the InChIKey of 2-(2-methylpentan-3-yl)-1,3-dioxane?
The InChIKey is QRCUUFRMUPETLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-9(8(2)3)10-11-6-5-7-12-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-(2-methylpentan-3-yl)-1,3-dioxane?
2-(2-methylpentan-3-yl)-1,3-dioxane has a molecular weight of 172.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-3-yl)-1,3-dioxane is sourced from PubChem (CID 170568150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).