3-methyl-8-methylideneoxonane

C10H18O — CID 170738046

IUPAC3-methyl-8-methylideneoxonane
SMILESC=C1CCCCC(C)COC1
InChIInChI=1S/C10H18O/c1-9-5-3-4-6-10(2)8-11-7-9/h10H,1,3-8H2,2H3
InChIKeyLVXRUUMFEDLZHU-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds

About 3-methyl-8-methylideneoxonane

3-methyl-8-methylideneoxonane (PubChem CID 170738046) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-methyl-8-methylideneoxonane.

Molecular Properties

Compound Name3-methyl-8-methylideneoxonane
PubChem CID170738046
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-methyl-8-methylideneoxonane
SMILESC=C1CCCCC(C)COC1
InChIInChI=1S/C10H18O/c1-9-5-3-4-6-10(2)8-11-7-9/h10H,1,3-8H2,2H3
InChIKeyLVXRUUMFEDLZHU-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
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

methylcyclohexane;3-methyloxane
CID 144617317
1-methyl-2,3-dimethylidenecycloheptane
CID 20744103
ethane;(3S)-3-methyloxane;sulfane
CID 158056662
methane;methylcyclobutane;3-methyloxolane
CID 160852925
1-fluoro-5-methylidenecyclononane
CID 167066171
3-methyloxane;oxolane
CID 139878979
methylcyclopentane
CID 7296
(3S)-3-methyloxolane
CID 7857636
3-methylideneoxolane
CID 11815817
3-methyloxane;3-methyloxetane;3-methyloxolane
CID 159375413
2-methyl-7-methylideneoxepane
CID 70423571
6-methylcyclodecan-1-one
CID 121216307

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-methylideneoxonane?
The IUPAC name of 3-methyl-8-methylideneoxonane (CID 170738046) is 3-methyl-8-methylideneoxonane.
What is the SMILES notation for 3-methyl-8-methylideneoxonane?
The canonical SMILES for 3-methyl-8-methylideneoxonane is C=C1CCCCC(C)COC1.
What is the InChIKey of 3-methyl-8-methylideneoxonane?
The InChIKey is LVXRUUMFEDLZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-9-5-3-4-6-10(2)8-11-7-9/h10H,1,3-8H2,2H3.
What are the key properties of 3-methyl-8-methylideneoxonane?
3-methyl-8-methylideneoxonane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-methylideneoxonane is sourced from PubChem (CID 170738046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).