butane;ethane;2-methoxynon-1-ene

C18H42O — CID 172567534

IUPACbutane;ethane;2-methoxynon-1-ene
SMILESC=C(CCCCCCC)OC.CC.CC.CCCC
InChIInChI=1S/C10H20O.C4H10.2C2H6/c1-4-5-6-7-8-9-10(2)11-3;1-3-4-2;2*1-2/h2,4-9H2,1,3H3;3-4H2,1-2H3;2*1-2H3
InChIKeyHRLBQEYPZRGRQV-UHFFFAOYSA-N
MW274.53 g/mol
LogP7.37
Rot. Bonds8

About butane;ethane;2-methoxynon-1-ene

butane;ethane;2-methoxynon-1-ene (PubChem CID 172567534) has the molecular formula C18H42O and a molecular weight of 274.53 g/mol. Its IUPAC name is butane;ethane;2-methoxynon-1-ene.

Molecular Properties

Compound Namebutane;ethane;2-methoxynon-1-ene
PubChem CID172567534
Molecular FormulaC18H42O
Molecular Weight274.53 g/mol
Exact Mass274.32
IUPAC Namebutane;ethane;2-methoxynon-1-ene
SMILESC=C(CCCCCCC)OC.CC.CC.CCCC
InChIInChI=1S/C10H20O.C4H10.2C2H6/c1-4-5-6-7-8-9-10(2)11-3;1-3-4-2;2*1-2/h2,4-9H2,1,3H3;3-4H2,1-2H3;2*1-2H3
InChIKeyHRLBQEYPZRGRQV-UHFFFAOYSA-N
XLogP7.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.53
LogP ≤ 57.37
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-Hexylvinyl methyl ether
CID 551732
2-Methoxy-1-heptene
CID 551618
2-Ethoxynon-1-ene
CID 12385679
1,2-Epoxy hexadecene
CID 18172944
Epoxy-eicosene
CID 20465854
Lauryl hexaoxyethylene
CID 21407036
Isopropenyl octadecyl ether
CID 22407739
2-Methylidene-oxacyclotridecane
CID 85608247
Epoxynonadecene
CID 91445376
n-Octyl-pentaoxyethylene
CID 129682506
n-Dodecyl nonaoxyethylene
CID 129694971
n-Decyl-pentaoxyethylene
CID 129694975

Frequently Asked Questions

What is the IUPAC name of butane;ethane;2-methoxynon-1-ene?
The IUPAC name of butane;ethane;2-methoxynon-1-ene (CID 172567534) is butane;ethane;2-methoxynon-1-ene.
What is the SMILES notation for butane;ethane;2-methoxynon-1-ene?
The canonical SMILES for butane;ethane;2-methoxynon-1-ene is C=C(CCCCCCC)OC.CC.CC.CCCC.
What is the InChIKey of butane;ethane;2-methoxynon-1-ene?
The InChIKey is HRLBQEYPZRGRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C4H10.2C2H6/c1-4-5-6-7-8-9-10(2)11-3;1-3-4-2;2*1-2/h2,4-9H2,1,3H3;3-4H2,1-2H3;2*1-2H3.
What are the key properties of butane;ethane;2-methoxynon-1-ene?
butane;ethane;2-methoxynon-1-ene has a molecular weight of 274.53 g/mol, XLogP of 7.37, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;2-methoxynon-1-ene is sourced from PubChem (CID 172567534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).