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

C15H22O2 — CID 54037773

IUPAC(2S)-2-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxyoxane
SMILESC=CCC1=C(C)C(O[C@H]2CCCCO2)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-LOACHALJSA-N
MW234.34 g/mol
LogP3.75
Rot. Bonds4

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

(2S)-2-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxyoxane (PubChem CID 54037773) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (2S)-2-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxyoxane.

Molecular Properties

Compound Name(2S)-2-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxyoxane
PubChem CID54037773
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(2S)-2-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxyoxane
SMILESC=CCC1=C(C)C(O[C@H]2CCCCO2)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-LOACHALJSA-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 (2S)-2-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxyoxane?
The IUPAC name of (2S)-2-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxyoxane (CID 54037773) is (2S)-2-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxyoxane.
What is the SMILES notation for (2S)-2-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxyoxane?
The canonical SMILES for (2S)-2-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxyoxane is C=CCC1=C(C)C(O[C@H]2CCCCO2)CC1=C.
What is the InChIKey of (2S)-2-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxyoxane?
The InChIKey is LKEMVSFQSQDKHV-LOACHALJSA-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 (2S)-2-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxyoxane?
(2S)-2-(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 (2S)-2-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxyoxane is sourced from PubChem (CID 54037773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).