3,3-dimethyl-4-methylideneoxane

C8H14O — CID 144767055

IUPAC3,3-dimethyl-4-methylideneoxane
SMILESC=C1CCOCC1(C)C
InChIInChI=1S/C8H14O/c1-7-4-5-9-6-8(7,2)3/h1,4-6H2,2-3H3
InChIKeyOWGQVBHXGQDSSD-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds

About 3,3-dimethyl-4-methylideneoxane

3,3-dimethyl-4-methylideneoxane (PubChem CID 144767055) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3,3-dimethyl-4-methylideneoxane.

Molecular Properties

Compound Name3,3-dimethyl-4-methylideneoxane
PubChem CID144767055
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3,3-dimethyl-4-methylideneoxane
SMILESC=C1CCOCC1(C)C
InChIInChI=1S/C8H14O/c1-7-4-5-9-6-8(7,2)3/h1,4-6H2,2-3H3
InChIKeyOWGQVBHXGQDSSD-UHFFFAOYSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,5-Dimethyl-2-methylideneoxane
CID 58763804
3-Methyl-4-methylideneoxane
CID 89371394
4,4-Dimethyl-3-methylidene-1-[(2-methylpropan-2-yl)oxy]pentane
CID 89397951
Ethane;4-methylideneoxane
CID 91360466
(3S)-3-methyl-4-methylideneoxane
CID 143019143
Ethane;1-ethoxy-4,4-dimethyl-3-methylidenepentane
CID 144519412
1-Methoxy-4,4-dimethyl-3-methylidenepentane
CID 144519414
4-(Methoxymethyl)-4-prop-1-en-2-yloxane
CID 144557126
Methane;4-methylideneoxane
CID 157763089
(3R)-3-methyl-4-methylideneoxane
CID 163655340
4-Methyl-4-prop-1-en-2-yloxane
CID 168169287
3,3-Dimethyl-5-methylideneoxane
CID 13978847

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-methylideneoxane?
The IUPAC name of 3,3-dimethyl-4-methylideneoxane (CID 144767055) is 3,3-dimethyl-4-methylideneoxane.
What is the SMILES notation for 3,3-dimethyl-4-methylideneoxane?
The canonical SMILES for 3,3-dimethyl-4-methylideneoxane is C=C1CCOCC1(C)C.
What is the InChIKey of 3,3-dimethyl-4-methylideneoxane?
The InChIKey is OWGQVBHXGQDSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7-4-5-9-6-8(7,2)3/h1,4-6H2,2-3H3.
What are the key properties of 3,3-dimethyl-4-methylideneoxane?
3,3-dimethyl-4-methylideneoxane has a molecular weight of 126.20 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-methylideneoxane is sourced from PubChem (CID 144767055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).