2,2-dimethyl-5-propan-2-yloxy-4-propyloxolane

C12H24O2 — CID 166173498

IUPAC2,2-dimethyl-5-propan-2-yloxy-4-propyloxolane
SMILESCCCC1CC(C)(C)OC1OC(C)C
InChIInChI=1S/C12H24O2/c1-6-7-10-8-12(4,5)14-11(10)13-9(2)3/h9-11H,6-8H2,1-5H3
InChIKeyHEQOWWHAPTWPGA-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.35
Rot. Bonds4

About 2,2-dimethyl-5-propan-2-yloxy-4-propyloxolane

2,2-dimethyl-5-propan-2-yloxy-4-propyloxolane (PubChem CID 166173498) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2,2-dimethyl-5-propan-2-yloxy-4-propyloxolane.

Molecular Properties

Compound Name2,2-dimethyl-5-propan-2-yloxy-4-propyloxolane
PubChem CID166173498
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2,2-dimethyl-5-propan-2-yloxy-4-propyloxolane
SMILESCCCC1CC(C)(C)OC1OC(C)C
InChIInChI=1S/C12H24O2/c1-6-7-10-8-12(4,5)14-11(10)13-9(2)3/h9-11H,6-8H2,1-5H3
InChIKeyHEQOWWHAPTWPGA-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,3aR,6R,6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 59336408
(6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 137382626
1-butan-2-yl-1,2-dimethyl-3-propylcyclobutane
CID 123430128
1-methyl-1-propan-2-yl-3-propylcyclobutane
CID 91462890
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
[(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol
CID 14959485
2-(5,5-dimethyloxolan-3-yl)oxy-2-propan-2-yloxyethanol
CID 123899410
4-propyldioxolane
CID 174817920
3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol
CID 91440624
(4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane
CID 175625697
1-(2,3-dimethylpentyl)-2-propylcyclopropane
CID 123708600
(3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 131969290

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-propan-2-yloxy-4-propyloxolane?
The IUPAC name of 2,2-dimethyl-5-propan-2-yloxy-4-propyloxolane (CID 166173498) is 2,2-dimethyl-5-propan-2-yloxy-4-propyloxolane.
What is the SMILES notation for 2,2-dimethyl-5-propan-2-yloxy-4-propyloxolane?
The canonical SMILES for 2,2-dimethyl-5-propan-2-yloxy-4-propyloxolane is CCCC1CC(C)(C)OC1OC(C)C.
What is the InChIKey of 2,2-dimethyl-5-propan-2-yloxy-4-propyloxolane?
The InChIKey is HEQOWWHAPTWPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-6-7-10-8-12(4,5)14-11(10)13-9(2)3/h9-11H,6-8H2,1-5H3.
What are the key properties of 2,2-dimethyl-5-propan-2-yloxy-4-propyloxolane?
2,2-dimethyl-5-propan-2-yloxy-4-propyloxolane has a molecular weight of 200.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-propan-2-yloxy-4-propyloxolane is sourced from PubChem (CID 166173498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).