1-methyl-1-(1-methyl-2-prop-2-enylcyclopentyl)oxy-2-prop-2-enylcyclopentane

C18H30O — CID 70503780

IUPAC1-methyl-1-(1-methyl-2-prop-2-enylcyclopentyl)oxy-2-prop-2-enylcyclopentane
SMILESC=CCC1CCCC1(C)OC1(C)CCCC1CC=C
InChIInChI=1S/C18H30O/c1-5-9-15-11-7-13-17(15,3)19-18(4)14-8-12-16(18)10-6-2/h5-6,15-16H,1-2,7-14H2,3-4H3
InChIKeyKYQSEYPEYQSWNQ-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.27
Rot. Bonds6

About 1-methyl-1-(1-methyl-2-prop-2-enylcyclopentyl)oxy-2-prop-2-enylcyclopentane

1-methyl-1-(1-methyl-2-prop-2-enylcyclopentyl)oxy-2-prop-2-enylcyclopentane (PubChem CID 70503780) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-methyl-1-(1-methyl-2-prop-2-enylcyclopentyl)oxy-2-prop-2-enylcyclopentane.

Molecular Properties

Compound Name1-methyl-1-(1-methyl-2-prop-2-enylcyclopentyl)oxy-2-prop-2-enylcyclopentane
PubChem CID70503780
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1-methyl-1-(1-methyl-2-prop-2-enylcyclopentyl)oxy-2-prop-2-enylcyclopentane
SMILESC=CCC1CCCC1(C)OC1(C)CCCC1CC=C
InChIInChI=1S/C18H30O/c1-5-9-15-11-7-13-17(15,3)19-18(4)14-8-12-16(18)10-6-2/h5-6,15-16H,1-2,7-14H2,3-4H3
InChIKeyKYQSEYPEYQSWNQ-UHFFFAOYSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.27
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-methyl-1-(1-methyl-2-prop-2-enylcyclopentyl)oxy-2-prop-2-enylcyclopentane?
The IUPAC name of 1-methyl-1-(1-methyl-2-prop-2-enylcyclopentyl)oxy-2-prop-2-enylcyclopentane (CID 70503780) is 1-methyl-1-(1-methyl-2-prop-2-enylcyclopentyl)oxy-2-prop-2-enylcyclopentane.
What is the SMILES notation for 1-methyl-1-(1-methyl-2-prop-2-enylcyclopentyl)oxy-2-prop-2-enylcyclopentane?
The canonical SMILES for 1-methyl-1-(1-methyl-2-prop-2-enylcyclopentyl)oxy-2-prop-2-enylcyclopentane is C=CCC1CCCC1(C)OC1(C)CCCC1CC=C.
What is the InChIKey of 1-methyl-1-(1-methyl-2-prop-2-enylcyclopentyl)oxy-2-prop-2-enylcyclopentane?
The InChIKey is KYQSEYPEYQSWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-5-9-15-11-7-13-17(15,3)19-18(4)14-8-12-16(18)10-6-2/h5-6,15-16H,1-2,7-14H2,3-4H3.
What are the key properties of 1-methyl-1-(1-methyl-2-prop-2-enylcyclopentyl)oxy-2-prop-2-enylcyclopentane?
1-methyl-1-(1-methyl-2-prop-2-enylcyclopentyl)oxy-2-prop-2-enylcyclopentane has a molecular weight of 262.44 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-methyl-2-prop-2-enylcyclopentyl)oxy-2-prop-2-enylcyclopentane is sourced from PubChem (CID 70503780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).