(4R)-2,4-dimethyloxane

C7H14O — CID 129313541

IUPAC(4R)-2,4-dimethyloxane
SMILESCC1C[C@H](C)CCO1
InChIInChI=1S/C7H14O/c1-6-3-4-8-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7?/m1/s1
InChIKeyFPQOQDFWCJXVKF-ULUSZKPHSA-N
MW114.19 g/mol
LogP1.82
Rot. Bonds

About (4R)-2,4-dimethyloxane

(4R)-2,4-dimethyloxane (PubChem CID 129313541) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (4R)-2,4-dimethyloxane.

Molecular Properties

Compound Name(4R)-2,4-dimethyloxane
PubChem CID129313541
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(4R)-2,4-dimethyloxane
SMILESCC1C[C@H](C)CCO1
InChIInChI=1S/C7H14O/c1-6-3-4-8-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7?/m1/s1
InChIKeyFPQOQDFWCJXVKF-ULUSZKPHSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyloxane;ethane
CID 143101228
acetylene;2,4-dimethyloxane
CID 142252938
2,4-dimethyloxane;methane;methanol
CID 145467505
2,4-dimethyloxane;ethene;methanol
CID 145468065
acetonitrile;2,4-dimethyloxane
CID 144710823
(2-methyloxan-4-yl)phosphane
CID 156867096
(2R,4S)-2-cyclopropyl-4-methyloxane
CID 118913002
2,6-dimethyl-1,3-dioxocane
CID 67957151
(2S,4R)-2-methyl-4-propan-2-yloxane
CID 177186832
2-methyl-4-(oxiran-2-yl)oxane
CID 126541590
2-(2,4-dimethylpentan-3-yl)-4-methyloxane
CID 176760513
[(2S,4R)-2-methyloxan-4-yl]methanamine
CID 95335813

Frequently Asked Questions

What is the IUPAC name of (4R)-2,4-dimethyloxane?
The IUPAC name of (4R)-2,4-dimethyloxane (CID 129313541) is (4R)-2,4-dimethyloxane.
What is the SMILES notation for (4R)-2,4-dimethyloxane?
The canonical SMILES for (4R)-2,4-dimethyloxane is CC1C[C@H](C)CCO1.
What is the InChIKey of (4R)-2,4-dimethyloxane?
The InChIKey is FPQOQDFWCJXVKF-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H14O/c1-6-3-4-8-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7?/m1/s1.
What are the key properties of (4R)-2,4-dimethyloxane?
(4R)-2,4-dimethyloxane has a molecular weight of 114.19 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,4-dimethyloxane is sourced from PubChem (CID 129313541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).