methyl (2Z)-2-[(3S)-3-methoxy-2,2-dimethylcyclopentylidene]acetate

C11H18O3 — CID 10104190

IUPACmethyl (2Z)-2-[(3S)-3-methoxy-2,2-dimethylcyclopentylidene]acetate
SMILESCOC(=O)/C=C1/CC[C@H](OC)C1(C)C
InChIInChI=1S/C11H18O3/c1-11(2)8(7-10(12)14-4)5-6-9(11)13-3/h7,9H,5-6H2,1-4H3/b8-7-/t9-/m0/s1
InChIKeyBKWTYSXVHXNBEB-FUOZMLNRSA-N
MW198.26 g/mol
LogP1.92
Rot. Bonds2

About methyl (2Z)-2-[(3S)-3-methoxy-2,2-dimethylcyclopentylidene]acetate

methyl (2Z)-2-[(3S)-3-methoxy-2,2-dimethylcyclopentylidene]acetate (PubChem CID 10104190) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl (2Z)-2-[(3S)-3-methoxy-2,2-dimethylcyclopentylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[(3S)-3-methoxy-2,2-dimethylcyclopentylidene]acetate
PubChem CID10104190
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl (2Z)-2-[(3S)-3-methoxy-2,2-dimethylcyclopentylidene]acetate
SMILESCOC(=O)/C=C1/CC[C@H](OC)C1(C)C
InChIInChI=1S/C11H18O3/c1-11(2)8(7-10(12)14-4)5-6-9(11)13-3/h7,9H,5-6H2,1-4H3/b8-7-/t9-/m0/s1
InChIKeyBKWTYSXVHXNBEB-FUOZMLNRSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[(3S)-3-methoxy-2,2-dimethylcyclopentylidene]acetate?
The IUPAC name of methyl (2Z)-2-[(3S)-3-methoxy-2,2-dimethylcyclopentylidene]acetate (CID 10104190) is methyl (2Z)-2-[(3S)-3-methoxy-2,2-dimethylcyclopentylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[(3S)-3-methoxy-2,2-dimethylcyclopentylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[(3S)-3-methoxy-2,2-dimethylcyclopentylidene]acetate is COC(=O)/C=C1/CC[C@H](OC)C1(C)C.
What is the InChIKey of methyl (2Z)-2-[(3S)-3-methoxy-2,2-dimethylcyclopentylidene]acetate?
The InChIKey is BKWTYSXVHXNBEB-FUOZMLNRSA-N. The full InChI is InChI=1S/C11H18O3/c1-11(2)8(7-10(12)14-4)5-6-9(11)13-3/h7,9H,5-6H2,1-4H3/b8-7-/t9-/m0/s1.
What are the key properties of methyl (2Z)-2-[(3S)-3-methoxy-2,2-dimethylcyclopentylidene]acetate?
methyl (2Z)-2-[(3S)-3-methoxy-2,2-dimethylcyclopentylidene]acetate has a molecular weight of 198.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[(3S)-3-methoxy-2,2-dimethylcyclopentylidene]acetate is sourced from PubChem (CID 10104190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).