1-ethenyl-3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methylcyclopentane

C16H28O — CID 90960382

IUPAC1-ethenyl-3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methylcyclopentane
SMILESC=CC1(C)CCC(CC2(COC)CCCC2)C1
InChIInChI=1S/C16H28O/c1-4-15(2)10-7-14(11-15)12-16(13-17-3)8-5-6-9-16/h4,14H,1,5-13H2,2-3H3
InChIKeyFFOHHHDFRGPDAS-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.58
Rot. Bonds5

About 1-ethenyl-3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methylcyclopentane

1-ethenyl-3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methylcyclopentane (PubChem CID 90960382) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-ethenyl-3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methylcyclopentane.

Molecular Properties

Compound Name1-ethenyl-3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methylcyclopentane
PubChem CID90960382
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name1-ethenyl-3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methylcyclopentane
SMILESC=CC1(C)CCC(CC2(COC)CCCC2)C1
InChIInChI=1S/C16H28O/c1-4-15(2)10-7-14(11-15)12-16(13-17-3)8-5-6-9-16/h4,14H,1,5-13H2,2-3H3
InChIKeyFFOHHHDFRGPDAS-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.58
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 1-ethenyl-3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methylcyclopentane?
The IUPAC name of 1-ethenyl-3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methylcyclopentane (CID 90960382) is 1-ethenyl-3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methylcyclopentane.
What is the SMILES notation for 1-ethenyl-3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methylcyclopentane?
The canonical SMILES for 1-ethenyl-3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methylcyclopentane is C=CC1(C)CCC(CC2(COC)CCCC2)C1.
What is the InChIKey of 1-ethenyl-3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methylcyclopentane?
The InChIKey is FFOHHHDFRGPDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-4-15(2)10-7-14(11-15)12-16(13-17-3)8-5-6-9-16/h4,14H,1,5-13H2,2-3H3.
What are the key properties of 1-ethenyl-3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methylcyclopentane?
1-ethenyl-3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methylcyclopentane has a molecular weight of 236.40 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methylcyclopentane is sourced from PubChem (CID 90960382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).