1-methoxy-4,4-dimethyl-3-methylidenepentane

C9H18O — CID 144519414

IUPAC1-methoxy-4,4-dimethyl-3-methylidenepentane
SMILESC=C(CCOC)C(C)(C)C
InChIInChI=1S/C9H18O/c1-8(6-7-10-5)9(2,3)4/h1,6-7H2,2-5H3
InChIKeyGTXRAROPJOIGBP-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.63
Rot. Bonds3

About 1-methoxy-4,4-dimethyl-3-methylidenepentane

1-methoxy-4,4-dimethyl-3-methylidenepentane (PubChem CID 144519414) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 1-methoxy-4,4-dimethyl-3-methylidenepentane.

Molecular Properties

Compound Name1-methoxy-4,4-dimethyl-3-methylidenepentane
PubChem CID144519414
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name1-methoxy-4,4-dimethyl-3-methylidenepentane
SMILESC=C(CCOC)C(C)(C)C
InChIInChI=1S/C9H18O/c1-8(6-7-10-5)9(2,3)4/h1,6-7H2,2-5H3
InChIKeyGTXRAROPJOIGBP-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.63
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

4,4-Dimethyl-3-methylidenepentan-1-ol
CID 13093332
1-(3-Methylbut-3-enoxy)pentane
CID 21270356
4-Tert-butyl-2,3-dihydrofuran
CID 58312085
4,4-Dimethyl-3-methylidene-1-[(2-methylpropan-2-yl)oxy]pentane
CID 89397951
3-Methylidene-1-propoxypentane
CID 123353086
4-Ethyl-4-methyl-3-methylidene-1-propoxyhexane
CID 123390908
2,3,3-Trimethyl-4-(2-methylpentan-2-yloxy)but-1-ene
CID 123757864
5-Methoxy-2,3,3-trimethylpent-1-ene;propane
CID 142089843
1-Methoxy-4-methyl-3-methylidenepentane
CID 142483581
Ethane;1-ethoxy-4,4-dimethyl-3-methylidenepentane
CID 144519412
3,3-Dimethyl-4-methylideneoxane
CID 144767055
1-Butoxy-4-methyl-3-methylidenepentane
CID 156523567

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4,4-dimethyl-3-methylidenepentane?
The IUPAC name of 1-methoxy-4,4-dimethyl-3-methylidenepentane (CID 144519414) is 1-methoxy-4,4-dimethyl-3-methylidenepentane.
What is the SMILES notation for 1-methoxy-4,4-dimethyl-3-methylidenepentane?
The canonical SMILES for 1-methoxy-4,4-dimethyl-3-methylidenepentane is C=C(CCOC)C(C)(C)C.
What is the InChIKey of 1-methoxy-4,4-dimethyl-3-methylidenepentane?
The InChIKey is GTXRAROPJOIGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-8(6-7-10-5)9(2,3)4/h1,6-7H2,2-5H3.
What are the key properties of 1-methoxy-4,4-dimethyl-3-methylidenepentane?
1-methoxy-4,4-dimethyl-3-methylidenepentane has a molecular weight of 142.24 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4,4-dimethyl-3-methylidenepentane is sourced from PubChem (CID 144519414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).