acetylene;2,4-dimethyloxane

C9H16O — CID 142252938

IUPACacetylene;2,4-dimethyloxane
SMILESC#C.CC1CCOC(C)C1
InChIInChI=1S/C7H14O.C2H2/c1-6-3-4-8-7(2)5-6;1-2/h6-7H,3-5H2,1-2H3;1-2H
InChIKeyNHLTWPGMNIQDOF-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.07
Rot. Bonds

About acetylene;2,4-dimethyloxane

acetylene;2,4-dimethyloxane (PubChem CID 142252938) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is acetylene;2,4-dimethyloxane.

Molecular Properties

Compound Nameacetylene;2,4-dimethyloxane
PubChem CID142252938
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Nameacetylene;2,4-dimethyloxane
SMILESC#C.CC1CCOC(C)C1
InChIInChI=1S/C7H14O.C2H2/c1-6-3-4-8-7(2)5-6;1-2/h6-7H,3-5H2,1-2H3;1-2H
InChIKeyNHLTWPGMNIQDOF-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(4R)-2,4-dimethyloxane
CID 129313541
2,4-dimethyloxane;ethane
CID 143101228
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 acetylene;2,4-dimethyloxane?
The IUPAC name of acetylene;2,4-dimethyloxane (CID 142252938) is acetylene;2,4-dimethyloxane.
What is the SMILES notation for acetylene;2,4-dimethyloxane?
The canonical SMILES for acetylene;2,4-dimethyloxane is C#C.CC1CCOC(C)C1.
What is the InChIKey of acetylene;2,4-dimethyloxane?
The InChIKey is NHLTWPGMNIQDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C2H2/c1-6-3-4-8-7(2)5-6;1-2/h6-7H,3-5H2,1-2H3;1-2H.
What are the key properties of acetylene;2,4-dimethyloxane?
acetylene;2,4-dimethyloxane has a molecular weight of 140.23 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2,4-dimethyloxane is sourced from PubChem (CID 142252938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).