(2S)-2-[(3R)-5,5-dimethyloxolan-3-yl]pent-4-en-2-ol

C11H20O2 — CID 59911112

IUPAC(2S)-2-[(3R)-5,5-dimethyloxolan-3-yl]pent-4-en-2-ol
SMILESC=CC[C@](C)(O)[C@H]1COC(C)(C)C1
InChIInChI=1S/C11H20O2/c1-5-6-11(4,12)9-7-10(2,3)13-8-9/h5,9,12H,1,6-8H2,2-4H3/t9-,11+/m1/s1
InChIKeyBSJMNPDLVSMVHA-KOLCDFICSA-N
MW184.28 g/mol
LogP2.13
Rot. Bonds3

About (2S)-2-[(3R)-5,5-dimethyloxolan-3-yl]pent-4-en-2-ol

(2S)-2-[(3R)-5,5-dimethyloxolan-3-yl]pent-4-en-2-ol (PubChem CID 59911112) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (2S)-2-[(3R)-5,5-dimethyloxolan-3-yl]pent-4-en-2-ol.

Molecular Properties

Compound Name(2S)-2-[(3R)-5,5-dimethyloxolan-3-yl]pent-4-en-2-ol
PubChem CID59911112
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(2S)-2-[(3R)-5,5-dimethyloxolan-3-yl]pent-4-en-2-ol
SMILESC=CC[C@](C)(O)[C@H]1COC(C)(C)C1
InChIInChI=1S/C11H20O2/c1-5-6-11(4,12)9-7-10(2,3)13-8-9/h5,9,12H,1,6-8H2,2-4H3/t9-,11+/m1/s1
InChIKeyBSJMNPDLVSMVHA-KOLCDFICSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Oxan-4-yl)pent-4-en-2-ol
CID 130701571
[(2R,3R,4R)-4-ethenyl-2-(2-methylpropyl)oxolan-3-yl]methanol
CID 134961063
(4R)-4-(2-methoxypent-4-en-2-yl)-2,2-dimethyloxolane
CID 59911123
trans-(1S,3S)-3-butoxy-1-prop-2-enylcyclopentan-1-ol
CID 70295011
(2R)-1-[(2R,3R,4R,5S)-4-ethyl-3-methyl-5-prop-2-enyloxolan-2-yl]butan-2-ol
CID 121338916
(2S)-3-[(2R,3R,4R,5S)-4-ethyl-3-methyl-5-prop-2-enyloxolan-2-yl]propane-1,2-diol
CID 121338921
Ethane;4-[3-(4-ethenyloxolan-2-yl)-2,5-dimethyl-5-(3-methyl-3-propoxybutoxy)hexan-2-yl]oxy-2-methylbutan-2-ol;3-methylbutane-1,3-diol;propane
CID 162444117
4-[3-(3-Methylbutoxy)propyl]hepta-1,6-dien-4-ol
CID 169595108
[(2S,3S)-2-but-3-en-2-yloxolan-3-yl]methanol
CID 175638897
[(2S,3S)-2-pent-1-en-3-yloxolan-3-yl]methanol
CID 175638906
2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-en-1-ol
CID 175638908
[(3R,4R)-4-ethenyl-1-oxaspiro[4.4]nonan-3-yl]methanol
CID 24799245

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3R)-5,5-dimethyloxolan-3-yl]pent-4-en-2-ol?
The IUPAC name of (2S)-2-[(3R)-5,5-dimethyloxolan-3-yl]pent-4-en-2-ol (CID 59911112) is (2S)-2-[(3R)-5,5-dimethyloxolan-3-yl]pent-4-en-2-ol.
What is the SMILES notation for (2S)-2-[(3R)-5,5-dimethyloxolan-3-yl]pent-4-en-2-ol?
The canonical SMILES for (2S)-2-[(3R)-5,5-dimethyloxolan-3-yl]pent-4-en-2-ol is C=CC[C@](C)(O)[C@H]1COC(C)(C)C1.
What is the InChIKey of (2S)-2-[(3R)-5,5-dimethyloxolan-3-yl]pent-4-en-2-ol?
The InChIKey is BSJMNPDLVSMVHA-KOLCDFICSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-6-11(4,12)9-7-10(2,3)13-8-9/h5,9,12H,1,6-8H2,2-4H3/t9-,11+/m1/s1.
What are the key properties of (2S)-2-[(3R)-5,5-dimethyloxolan-3-yl]pent-4-en-2-ol?
(2S)-2-[(3R)-5,5-dimethyloxolan-3-yl]pent-4-en-2-ol has a molecular weight of 184.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3R)-5,5-dimethyloxolan-3-yl]pent-4-en-2-ol is sourced from PubChem (CID 59911112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).