8-methyl-1-prop-1-enoxynonane

C13H26O — CID 152729157

IUPAC8-methyl-1-prop-1-enoxynonane
SMILESCC=COCCCCCCCC(C)C
InChIInChI=1S/C13H26O/c1-4-11-14-12-9-7-5-6-8-10-13(2)3/h4,11,13H,5-10,12H2,1-3H3
InChIKeyZXFZATLKHRQURX-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.53
Rot. Bonds9

About 8-methyl-1-prop-1-enoxynonane

8-methyl-1-prop-1-enoxynonane (PubChem CID 152729157) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 8-methyl-1-prop-1-enoxynonane.

Molecular Properties

Compound Name8-methyl-1-prop-1-enoxynonane
PubChem CID152729157
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name8-methyl-1-prop-1-enoxynonane
SMILESCC=COCCCCCCCC(C)C
InChIInChI=1S/C13H26O/c1-4-11-14-12-9-7-5-6-8-10-13(2)3/h4,11,13H,5-10,12H2,1-3H3
InChIKeyZXFZATLKHRQURX-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,10-bis(prop-1-enoxy)decane
CID 54271291
11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane
CID 173006752
8-methyl-1-prop-1-enoxyperoxyperoxynonane
CID 173006774
1-prop-1-enoxydecane
CID 54116737
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
8-methyl-1-prop-1-enoxyperoxyperoxyperoxynonane;phosphoric acid
CID 173006796
1-hydroperoxy-6-methylheptane
CID 87470675
1-ethoxy-17-methyloctadecane
CID 91042875
7-methyl-1-(2-methylpropoxy)octane
CID 23222552

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-prop-1-enoxynonane?
The IUPAC name of 8-methyl-1-prop-1-enoxynonane (CID 152729157) is 8-methyl-1-prop-1-enoxynonane.
What is the SMILES notation for 8-methyl-1-prop-1-enoxynonane?
The canonical SMILES for 8-methyl-1-prop-1-enoxynonane is CC=COCCCCCCCC(C)C.
What is the InChIKey of 8-methyl-1-prop-1-enoxynonane?
The InChIKey is ZXFZATLKHRQURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-4-11-14-12-9-7-5-6-8-10-13(2)3/h4,11,13H,5-10,12H2,1-3H3.
What are the key properties of 8-methyl-1-prop-1-enoxynonane?
8-methyl-1-prop-1-enoxynonane has a molecular weight of 198.35 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-prop-1-enoxynonane is sourced from PubChem (CID 152729157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).