(4S)-4-hydroxy-3,3,5,5-tetramethylcyclopentene-1-carboxylate

C10H15O3- — CID 7762173

IUPAC(4S)-4-hydroxy-3,3,5,5-tetramethylcyclopentene-1-carboxylate
SMILESCC1(C)C=C(C(=O)[O-])C(C)(C)[C@H]1O
InChIInChI=1S/C10H16O3/c1-9(2)5-6(7(11)12)10(3,4)8(9)13/h5,8,13H,1-4H3,(H,11,12)/p-1/t8-/m0/s1
InChIKeyKVARCMRXDYMVNC-QMMMGPOBSA-M
MW183.23 g/mol
LogP0.09
Rot. Bonds1

About (4S)-4-hydroxy-3,3,5,5-tetramethylcyclopentene-1-carboxylate

(4S)-4-hydroxy-3,3,5,5-tetramethylcyclopentene-1-carboxylate (PubChem CID 7762173) has the molecular formula C10H15O3- and a molecular weight of 183.23 g/mol. Its IUPAC name is (4S)-4-hydroxy-3,3,5,5-tetramethylcyclopentene-1-carboxylate.

Molecular Properties

Compound Name(4S)-4-hydroxy-3,3,5,5-tetramethylcyclopentene-1-carboxylate
PubChem CID7762173
Molecular FormulaC10H15O3-
Molecular Weight183.23 g/mol
Exact Mass183.10
IUPAC Name(4S)-4-hydroxy-3,3,5,5-tetramethylcyclopentene-1-carboxylate
SMILESCC1(C)C=C(C(=O)[O-])C(C)(C)[C@H]1O
InChIInChI=1S/C10H16O3/c1-9(2)5-6(7(11)12)10(3,4)8(9)13/h5,8,13H,1-4H3,(H,11,12)/p-1/t8-/m0/s1
InChIKeyKVARCMRXDYMVNC-QMMMGPOBSA-M
XLogP0.09
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(5S)-5-hydroxy-2,4,4-trimethylcyclopent-2-en-1-one
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5-hydroxy-2,4,4-trimethylcyclopent-2-en-1-one
CID 130037543
diazanium;3,3-dimethylcyclopropane-1,2-dicarboxylate
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3-ethylidene-2,2,4,4-tetramethylcyclobutan-1-ol
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3-amino-4-methylcyclohexa-1,5-diene-1,4-dicarboxylate
CID 53411745
ethane;benzoate
CID 161103305
ethane;benzoate
CID 90830280
(1S,4S,5S)-1-bromo-4-hydroxy-3,3,6,6-tetramethylbicyclo[3.1.0]hexan-2-one
CID 102425615
3,3-dimethylcyclobutane-1,2-diol
CID 12791421
(4R,5R,6R)-6-[(E)-but-2-en-2-yl]-4-hydroxy-3,3,5-trimethyloxan-2-one
CID 14376453

Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-3,3,5,5-tetramethylcyclopentene-1-carboxylate?
The IUPAC name of (4S)-4-hydroxy-3,3,5,5-tetramethylcyclopentene-1-carboxylate (CID 7762173) is (4S)-4-hydroxy-3,3,5,5-tetramethylcyclopentene-1-carboxylate.
What is the SMILES notation for (4S)-4-hydroxy-3,3,5,5-tetramethylcyclopentene-1-carboxylate?
The canonical SMILES for (4S)-4-hydroxy-3,3,5,5-tetramethylcyclopentene-1-carboxylate is CC1(C)C=C(C(=O)[O-])C(C)(C)[C@H]1O.
What is the InChIKey of (4S)-4-hydroxy-3,3,5,5-tetramethylcyclopentene-1-carboxylate?
The InChIKey is KVARCMRXDYMVNC-QMMMGPOBSA-M. The full InChI is InChI=1S/C10H16O3/c1-9(2)5-6(7(11)12)10(3,4)8(9)13/h5,8,13H,1-4H3,(H,11,12)/p-1/t8-/m0/s1.
What are the key properties of (4S)-4-hydroxy-3,3,5,5-tetramethylcyclopentene-1-carboxylate?
(4S)-4-hydroxy-3,3,5,5-tetramethylcyclopentene-1-carboxylate has a molecular weight of 183.23 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-3,3,5,5-tetramethylcyclopentene-1-carboxylate is sourced from PubChem (CID 7762173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).