tert-butyl (1S)-3-methylidenecyclopentane-1-carboxylate

C11H18O2 — CID 58332012

IUPACtert-butyl (1S)-3-methylidenecyclopentane-1-carboxylate
SMILESC=C1CC[C@H](C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H18O2/c1-8-5-6-9(7-8)10(12)13-11(2,3)4/h9H,1,5-7H2,2-4H3/t9-/m0/s1
InChIKeyRMLXDKMWCCSDAJ-VIFPVBQESA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds1

About tert-butyl (1S)-3-methylidenecyclopentane-1-carboxylate

tert-butyl (1S)-3-methylidenecyclopentane-1-carboxylate (PubChem CID 58332012) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is tert-butyl (1S)-3-methylidenecyclopentane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (1S)-3-methylidenecyclopentane-1-carboxylate
PubChem CID58332012
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nametert-butyl (1S)-3-methylidenecyclopentane-1-carboxylate
SMILESC=C1CC[C@H](C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H18O2/c1-8-5-6-9(7-8)10(12)13-11(2,3)4/h9H,1,5-7H2,2-4H3/t9-/m0/s1
InChIKeyRMLXDKMWCCSDAJ-VIFPVBQESA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl cyclopropanecarboxylate
CID 157212632
1-(3-methylidenecyclopentyl)ethanone
CID 556899
tert-butyl N-(4-methylidenecyclohexyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 118990065
3-methylidenecyclopentane-1-carboxylic acid
CID 18614353
tert-butyl cyclododecanecarboxylate
CID 154013086
carbonic acid;prop-2-enyl (1R)-3-methylidenecyclopentane-1-carboxylate
CID 70114517
tert-butyl 4-methylcyclohexane-1-carboxylate
CID 59152157
tert-butyl (1S,3Z)-3-(2-ethoxy-2-oxoethylidene)cyclopentane-1-carboxylate
CID 59547321
tert-butyl thiane-4-carboxylate
CID 118666343
tritert-butyl cyclohexane-1,2,4-tricarboxylate
CID 23444068
tert-butyl 4-tert-butylsulfinylcyclohexane-1-carboxylate
CID 175169116
tert-butyl 1-(2-chloroacetyl)piperidine-4-carboxylate
CID 90085069

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S)-3-methylidenecyclopentane-1-carboxylate?
The IUPAC name of tert-butyl (1S)-3-methylidenecyclopentane-1-carboxylate (CID 58332012) is tert-butyl (1S)-3-methylidenecyclopentane-1-carboxylate.
What is the SMILES notation for tert-butyl (1S)-3-methylidenecyclopentane-1-carboxylate?
The canonical SMILES for tert-butyl (1S)-3-methylidenecyclopentane-1-carboxylate is C=C1CC[C@H](C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (1S)-3-methylidenecyclopentane-1-carboxylate?
The InChIKey is RMLXDKMWCCSDAJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18O2/c1-8-5-6-9(7-8)10(12)13-11(2,3)4/h9H,1,5-7H2,2-4H3/t9-/m0/s1.
What are the key properties of tert-butyl (1S)-3-methylidenecyclopentane-1-carboxylate?
tert-butyl (1S)-3-methylidenecyclopentane-1-carboxylate has a molecular weight of 182.26 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S)-3-methylidenecyclopentane-1-carboxylate is sourced from PubChem (CID 58332012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).