(3S)-1-ethyl-3-(methoxymethoxy)-2-methyl-5-methylidenecyclopentene

C11H18O2 — CID 67642607

IUPAC(3S)-1-ethyl-3-(methoxymethoxy)-2-methyl-5-methylidenecyclopentene
SMILESC=C1C[C@H](OCOC)C(C)=C1CC
InChIInChI=1S/C11H18O2/c1-5-10-8(2)6-11(9(10)3)13-7-12-4/h11H,2,5-7H2,1,3-4H3/t11-/m0/s1
InChIKeyYKHZNZOGAPFCLM-NSHDSACASA-N
MW182.26 g/mol
LogP2.66
Rot. Bonds4

About (3S)-1-ethyl-3-(methoxymethoxy)-2-methyl-5-methylidenecyclopentene

(3S)-1-ethyl-3-(methoxymethoxy)-2-methyl-5-methylidenecyclopentene (PubChem CID 67642607) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (3S)-1-ethyl-3-(methoxymethoxy)-2-methyl-5-methylidenecyclopentene.

Molecular Properties

Compound Name(3S)-1-ethyl-3-(methoxymethoxy)-2-methyl-5-methylidenecyclopentene
PubChem CID67642607
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(3S)-1-ethyl-3-(methoxymethoxy)-2-methyl-5-methylidenecyclopentene
SMILESC=C1C[C@H](OCOC)C(C)=C1CC
InChIInChI=1S/C11H18O2/c1-5-10-8(2)6-11(9(10)3)13-7-12-4/h11H,2,5-7H2,1,3-4H3/t11-/m0/s1
InChIKeyYKHZNZOGAPFCLM-NSHDSACASA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-3-(methoxymethoxy)-2-methyl-5-methylidenecyclopentene?
The IUPAC name of (3S)-1-ethyl-3-(methoxymethoxy)-2-methyl-5-methylidenecyclopentene (CID 67642607) is (3S)-1-ethyl-3-(methoxymethoxy)-2-methyl-5-methylidenecyclopentene.
What is the SMILES notation for (3S)-1-ethyl-3-(methoxymethoxy)-2-methyl-5-methylidenecyclopentene?
The canonical SMILES for (3S)-1-ethyl-3-(methoxymethoxy)-2-methyl-5-methylidenecyclopentene is C=C1C[C@H](OCOC)C(C)=C1CC.
What is the InChIKey of (3S)-1-ethyl-3-(methoxymethoxy)-2-methyl-5-methylidenecyclopentene?
The InChIKey is YKHZNZOGAPFCLM-NSHDSACASA-N. The full InChI is InChI=1S/C11H18O2/c1-5-10-8(2)6-11(9(10)3)13-7-12-4/h11H,2,5-7H2,1,3-4H3/t11-/m0/s1.
What are the key properties of (3S)-1-ethyl-3-(methoxymethoxy)-2-methyl-5-methylidenecyclopentene?
(3S)-1-ethyl-3-(methoxymethoxy)-2-methyl-5-methylidenecyclopentene has a molecular weight of 182.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-3-(methoxymethoxy)-2-methyl-5-methylidenecyclopentene is sourced from PubChem (CID 67642607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).