2-[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl]oxyoxane

C15H22O2 — CID 67738093

IUPAC2-[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl]oxyoxane
SMILESC=CCC1=C(C)[C@@H](OC2CCCCO2)CC1=C
InChIInChI=1S/C15H22O2/c1-4-7-13-11(2)10-14(12(13)3)17-15-8-5-6-9-16-15/h4,14-15H,1-2,5-10H2,3H3/t14-,15?/m0/s1
InChIKeyLKEMVSFQSQDKHV-MLCCFXAWSA-N
MW234.34 g/mol
LogP3.75
Rot. Bonds4

About 2-[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl]oxyoxane

2-[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl]oxyoxane (PubChem CID 67738093) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl]oxyoxane.

Molecular Properties

Compound Name2-[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl]oxyoxane
PubChem CID67738093
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl]oxyoxane
SMILESC=CCC1=C(C)[C@@H](OC2CCCCO2)CC1=C
InChIInChI=1S/C15H22O2/c1-4-7-13-11(2)10-14(12(13)3)17-15-8-5-6-9-16-15/h4,14-15H,1-2,5-10H2,3H3/t14-,15?/m0/s1
InChIKeyLKEMVSFQSQDKHV-MLCCFXAWSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl]oxyoxane?
The IUPAC name of 2-[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl]oxyoxane (CID 67738093) is 2-[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl]oxyoxane.
What is the SMILES notation for 2-[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl]oxyoxane?
The canonical SMILES for 2-[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl]oxyoxane is C=CCC1=C(C)[C@@H](OC2CCCCO2)CC1=C.
What is the InChIKey of 2-[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl]oxyoxane?
The InChIKey is LKEMVSFQSQDKHV-MLCCFXAWSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-7-13-11(2)10-14(12(13)3)17-15-8-5-6-9-16-15/h4,14-15H,1-2,5-10H2,3H3/t14-,15?/m0/s1.
What are the key properties of 2-[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl]oxyoxane?
2-[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl]oxyoxane has a molecular weight of 234.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl]oxyoxane is sourced from PubChem (CID 67738093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).