(1S)-2-(2-methylpropoxy)cyclopent-2-en-1-ol

C9H16O2 — CID 130629635

IUPAC(1S)-2-(2-methylpropoxy)cyclopent-2-en-1-ol
SMILESCC(C)COC1=CCC[C@@H]1O
InChIInChI=1S/C9H16O2/c1-7(2)6-11-9-5-3-4-8(9)10/h5,7-8,10H,3-4,6H2,1-2H3/t8-/m0/s1
InChIKeyIRWZUXPVZUGITD-QMMMGPOBSA-N
MW156.22 g/mol
LogP1.70
Rot. Bonds3

About (1S)-2-(2-methylpropoxy)cyclopent-2-en-1-ol

(1S)-2-(2-methylpropoxy)cyclopent-2-en-1-ol (PubChem CID 130629635) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (1S)-2-(2-methylpropoxy)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S)-2-(2-methylpropoxy)cyclopent-2-en-1-ol
PubChem CID130629635
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(1S)-2-(2-methylpropoxy)cyclopent-2-en-1-ol
SMILESCC(C)COC1=CCC[C@@H]1O
InChIInChI=1S/C9H16O2/c1-7(2)6-11-9-5-3-4-8(9)10/h5,7-8,10H,3-4,6H2,1-2H3/t8-/m0/s1
InChIKeyIRWZUXPVZUGITD-QMMMGPOBSA-N
XLogP1.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(2-methylpropoxy)cyclopent-2-en-1-ol?
The IUPAC name of (1S)-2-(2-methylpropoxy)cyclopent-2-en-1-ol (CID 130629635) is (1S)-2-(2-methylpropoxy)cyclopent-2-en-1-ol.
What is the SMILES notation for (1S)-2-(2-methylpropoxy)cyclopent-2-en-1-ol?
The canonical SMILES for (1S)-2-(2-methylpropoxy)cyclopent-2-en-1-ol is CC(C)COC1=CCC[C@@H]1O.
What is the InChIKey of (1S)-2-(2-methylpropoxy)cyclopent-2-en-1-ol?
The InChIKey is IRWZUXPVZUGITD-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(2)6-11-9-5-3-4-8(9)10/h5,7-8,10H,3-4,6H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-2-(2-methylpropoxy)cyclopent-2-en-1-ol?
(1S)-2-(2-methylpropoxy)cyclopent-2-en-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(2-methylpropoxy)cyclopent-2-en-1-ol is sourced from PubChem (CID 130629635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).