5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene

C12H16O2 — CID 19428654

IUPAC5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene
SMILESC#CCC1=C(C)C(OCOC)CC1=C
InChIInChI=1S/C12H16O2/c1-5-6-11-9(2)7-12(10(11)3)14-8-13-4/h1,12H,2,6-8H2,3-4H3
InChIKeyUMVBLAUZIDCVBM-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.28
Rot. Bonds4

About 5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene

5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene (PubChem CID 19428654) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene.

Molecular Properties

Compound Name5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene
PubChem CID19428654
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene
SMILESC#CCC1=C(C)C(OCOC)CC1=C
InChIInChI=1S/C12H16O2/c1-5-6-11-9(2)7-12(10(11)3)14-8-13-4/h1,12H,2,6-8H2,3-4H3
InChIKeyUMVBLAUZIDCVBM-UHFFFAOYSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene?
The IUPAC name of 5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene (CID 19428654) is 5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene.
What is the SMILES notation for 5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene?
The canonical SMILES for 5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene is C#CCC1=C(C)C(OCOC)CC1=C.
What is the InChIKey of 5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene?
The InChIKey is UMVBLAUZIDCVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-5-6-11-9(2)7-12(10(11)3)14-8-13-4/h1,12H,2,6-8H2,3-4H3.
What are the key properties of 5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene?
5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene has a molecular weight of 192.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene is sourced from PubChem (CID 19428654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).