(1S,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol

C10H16O3 — CID 10986966

IUPAC(1S,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol
SMILESO[C@@H]1C=C[C@@H](OC2CCCCO2)C1
InChIInChI=1S/C10H16O3/c11-8-4-5-9(7-8)13-10-3-1-2-6-12-10/h4-5,8-11H,1-3,6-7H2/t8-,9-,10?/m1/s1
InChIKeyRBQYRBFCQFHDHR-MGRQHWMJSA-N
MW184.24 g/mol
LogP1.22
Rot. Bonds2

About (1S,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol

(1S,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol (PubChem CID 10986966) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is (1S,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol
PubChem CID10986966
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name(1S,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol
SMILESO[C@@H]1C=C[C@@H](OC2CCCCO2)C1
InChIInChI=1S/C10H16O3/c11-8-4-5-9(7-8)13-10-3-1-2-6-12-10/h4-5,8-11H,1-3,6-7H2/t8-,9-,10?/m1/s1
InChIKeyRBQYRBFCQFHDHR-MGRQHWMJSA-N
XLogP1.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol
CID 67582967
3-(oxan-2-yloxy)cyclobutan-1-ol
CID 155584587
2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane
CID 131843933
2-(oxan-2-yloxy)cyclopentan-1-ol
CID 86732994
(1S,4R)-4-[(2S,3S)-3-iodooxolan-2-yl]oxycyclopent-2-en-1-ol
CID 66634577
trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol
CID 89143909
2-cycloheptyloxyoxane
CID 11735764
cis-(1S,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 86316698
trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 124784404
(3S,3aS,6R,6aS)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 59018729
2-(oxetan-3-yloxy)oxane
CID 54083112
2-[(1S,2S)-2-methylcyclohexyl]oxyoxane
CID 10104198

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol?
The IUPAC name of (1S,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol (CID 10986966) is (1S,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol?
The canonical SMILES for (1S,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol is O[C@@H]1C=C[C@@H](OC2CCCCO2)C1.
What is the InChIKey of (1S,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol?
The InChIKey is RBQYRBFCQFHDHR-MGRQHWMJSA-N. The full InChI is InChI=1S/C10H16O3/c11-8-4-5-9(7-8)13-10-3-1-2-6-12-10/h4-5,8-11H,1-3,6-7H2/t8-,9-,10?/m1/s1.
What are the key properties of (1S,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol?
(1S,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol has a molecular weight of 184.24 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol is sourced from PubChem (CID 10986966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).