1-methyl-3-methylidenecyclohexane;2-methyloxane

C14H26O — CID 157289946

IUPAC1-methyl-3-methylidenecyclohexane;2-methyloxane
SMILESC=C1CCCC(C)C1.CC1CCCCO1
InChIInChI=1S/C8H14.C6H12O/c1-7-4-3-5-8(2)6-7;1-6-4-2-3-5-7-6/h8H,1,3-6H2,2H3;6H,2-5H2,1H3
InChIKeyBARKOUCNKNUMFO-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.33
Rot. Bonds

About 1-methyl-3-methylidenecyclohexane;2-methyloxane

1-methyl-3-methylidenecyclohexane;2-methyloxane (PubChem CID 157289946) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-methyl-3-methylidenecyclohexane;2-methyloxane.

Molecular Properties

Compound Name1-methyl-3-methylidenecyclohexane;2-methyloxane
PubChem CID157289946
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-methyl-3-methylidenecyclohexane;2-methyloxane
SMILESC=C1CCCC(C)C1.CC1CCCCO1
InChIInChI=1S/C8H14.C6H12O/c1-7-4-3-5-8(2)6-7;1-6-4-2-3-5-7-6/h8H,1,3-6H2,2H3;6H,2-5H2,1H3
InChIKeyBARKOUCNKNUMFO-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.33
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

tetrahydro-4-methylene-2-(2-methylpropyl)-2H-pyran
CID 108399
[2-Methyl-1-(2-methylprop-2-enoxy)prop-2-enyl]cyclohexane
CID 20816777
Cyclohexane, 1-(ethoxymethyl)-4-methylene-
CID 564665
4-Methylidene-2-propan-2-yloxane
CID 12283091
4-Methyl-2-(2-methylprop-2-enyl)oxane
CID 13894254
2,2-Dimethyl-5-(prop-1-en-2-yl)oxane
CID 71429158
(2S,4S,6R)-2,4-Dimethyl-8-methylene-1-oxaspiro[5.5]undecane
CID 10512034
W66K9Csq4Z
CID 92278448
1-Methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexane
CID 101411637
2-Cyclohexyl-4-methyl-5-methylideneoxane
CID 134966506
[2-Methylidene-3-(2-methylpropoxy)butyl]cyclohexane
CID 176427915
(3-Ethoxy-2-methylidenebutyl)cyclohexane
CID 176427919

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylidenecyclohexane;2-methyloxane?
The IUPAC name of 1-methyl-3-methylidenecyclohexane;2-methyloxane (CID 157289946) is 1-methyl-3-methylidenecyclohexane;2-methyloxane.
What is the SMILES notation for 1-methyl-3-methylidenecyclohexane;2-methyloxane?
The canonical SMILES for 1-methyl-3-methylidenecyclohexane;2-methyloxane is C=C1CCCC(C)C1.CC1CCCCO1.
What is the InChIKey of 1-methyl-3-methylidenecyclohexane;2-methyloxane?
The InChIKey is BARKOUCNKNUMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C6H12O/c1-7-4-3-5-8(2)6-7;1-6-4-2-3-5-7-6/h8H,1,3-6H2,2H3;6H,2-5H2,1H3.
What are the key properties of 1-methyl-3-methylidenecyclohexane;2-methyloxane?
1-methyl-3-methylidenecyclohexane;2-methyloxane has a molecular weight of 210.36 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylidenecyclohexane;2-methyloxane is sourced from PubChem (CID 157289946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).