2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol

C10H18O2 — CID 6428573

IUPAC2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol
SMILESC=C[C@]1(C)CC[C@H](C(C)(C)O)O1
InChIInChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m1/s1
InChIKeyBRHDDEIRQPDPMG-PSASIEDQSA-N
MW170.25 g/mol
LogP1.88
Rot. Bonds2

About 2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol

2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol (PubChem CID 6428573) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol
PubChem CID6428573
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol
SMILESC=C[C@]1(C)CC[C@H](C(C)(C)O)O1
InChIInChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m1/s1
InChIKeyBRHDDEIRQPDPMG-PSASIEDQSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.88
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

Linalool, oxide
CID 22310
2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, trans-
CID 6432254
Linalool oxide pyranoid, (+-)-
CID 26396
2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, (2R,5R)-rel-
CID 6431475
Linalool oxide IV
CID 6427788
(3R,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol
CID 6428574
2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, cis-
CID 11116492
Linalool oxide III
CID 6427787
Nerolidol Impurity 4
CID 76958197
Nerolidol Impurity 5
CID 141258656
(2R,3S,5S)-2-[(E)-2-bromoethenyl]-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-ol
CID 10539592
(2R,3R,5S)-2-[(E)-2-bromoethenyl]-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-ol
CID 10801620

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol (CID 6428573) is 2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol is C=C[C@]1(C)CC[C@H](C(C)(C)O)O1.
What is the InChIKey of 2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol?
The InChIKey is BRHDDEIRQPDPMG-PSASIEDQSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m1/s1.
What are the key properties of 2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol?
2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol has a molecular weight of 170.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol is sourced from PubChem (CID 6428573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).