ethane;1-ethenyl-1-methylcyclopentane;1-(methoxymethyl)-1-methylcyclopentane

C20H42O — CID 143788667

IUPACethane;1-ethenyl-1-methylcyclopentane;1-(methoxymethyl)-1-methylcyclopentane
SMILESC=CC1(C)CCCC1.CC.CC.COCC1(C)CCCC1
InChIInChI=1S/C8H16O.C8H14.2C2H6/c1-8(7-9-2)5-3-4-6-8;1-3-8(2)6-4-5-7-8;2*1-2/h3-7H2,1-2H3;3H,1,4-7H2,2H3;2*1-2H3
InChIKeyASQATAVLVGHQQL-UHFFFAOYSA-N
MW298.56 g/mol
LogP7.02
Rot. Bonds3

About ethane;1-ethenyl-1-methylcyclopentane;1-(methoxymethyl)-1-methylcyclopentane

ethane;1-ethenyl-1-methylcyclopentane;1-(methoxymethyl)-1-methylcyclopentane (PubChem CID 143788667) has the molecular formula C20H42O and a molecular weight of 298.56 g/mol. Its IUPAC name is ethane;1-ethenyl-1-methylcyclopentane;1-(methoxymethyl)-1-methylcyclopentane.

Molecular Properties

Compound Nameethane;1-ethenyl-1-methylcyclopentane;1-(methoxymethyl)-1-methylcyclopentane
PubChem CID143788667
Molecular FormulaC20H42O
Molecular Weight298.56 g/mol
Exact Mass298.32
IUPAC Nameethane;1-ethenyl-1-methylcyclopentane;1-(methoxymethyl)-1-methylcyclopentane
SMILESC=CC1(C)CCCC1.CC.CC.COCC1(C)CCCC1
InChIInChI=1S/C8H16O.C8H14.2C2H6/c1-8(7-9-2)5-3-4-6-8;1-3-8(2)6-4-5-7-8;2*1-2/h3-7H2,1-2H3;3H,1,4-7H2,2H3;2*1-2H3
InChIKeyASQATAVLVGHQQL-UHFFFAOYSA-N
XLogP7.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-1-methylcyclopentane;1-(methoxymethyl)-1-methylcyclopentane?
The IUPAC name of ethane;1-ethenyl-1-methylcyclopentane;1-(methoxymethyl)-1-methylcyclopentane (CID 143788667) is ethane;1-ethenyl-1-methylcyclopentane;1-(methoxymethyl)-1-methylcyclopentane.
What is the SMILES notation for ethane;1-ethenyl-1-methylcyclopentane;1-(methoxymethyl)-1-methylcyclopentane?
The canonical SMILES for ethane;1-ethenyl-1-methylcyclopentane;1-(methoxymethyl)-1-methylcyclopentane is C=CC1(C)CCCC1.CC.CC.COCC1(C)CCCC1.
What is the InChIKey of ethane;1-ethenyl-1-methylcyclopentane;1-(methoxymethyl)-1-methylcyclopentane?
The InChIKey is ASQATAVLVGHQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C8H14.2C2H6/c1-8(7-9-2)5-3-4-6-8;1-3-8(2)6-4-5-7-8;2*1-2/h3-7H2,1-2H3;3H,1,4-7H2,2H3;2*1-2H3.
What are the key properties of ethane;1-ethenyl-1-methylcyclopentane;1-(methoxymethyl)-1-methylcyclopentane?
ethane;1-ethenyl-1-methylcyclopentane;1-(methoxymethyl)-1-methylcyclopentane has a molecular weight of 298.56 g/mol, XLogP of 7.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-1-methylcyclopentane;1-(methoxymethyl)-1-methylcyclopentane is sourced from PubChem (CID 143788667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).