(3R)-3-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]butan-2-ol

C11H20O2 — CID 45113877

IUPAC(3R)-3-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]butan-2-ol
SMILESC=C[C@@]1(C)CC[C@@H]([C@H](C)C(C)O)O1
InChIInChI=1S/C11H20O2/c1-5-11(4)7-6-10(13-11)8(2)9(3)12/h5,8-10,12H,1,6-7H2,2-4H3/t8-,9?,10+,11+/m1/s1
InChIKeyDTMNLTMKMOJMPJ-RRPPZXBKSA-N
MW184.28 g/mol
LogP2.13
Rot. Bonds3

About (3R)-3-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]butan-2-ol

(3R)-3-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]butan-2-ol (PubChem CID 45113877) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (3R)-3-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]butan-2-ol.

Molecular Properties

Compound Name(3R)-3-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]butan-2-ol
PubChem CID45113877
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(3R)-3-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]butan-2-ol
SMILESC=C[C@@]1(C)CC[C@@H]([C@H](C)C(C)O)O1
InChIInChI=1S/C11H20O2/c1-5-11(4)7-6-10(13-11)8(2)9(3)12/h5,8-10,12H,1,6-7H2,2-4H3/t8-,9?,10+,11+/m1/s1
InChIKeyDTMNLTMKMOJMPJ-RRPPZXBKSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]butan-2-ol?
The IUPAC name of (3R)-3-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]butan-2-ol (CID 45113877) is (3R)-3-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]butan-2-ol.
What is the SMILES notation for (3R)-3-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]butan-2-ol?
The canonical SMILES for (3R)-3-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]butan-2-ol is C=C[C@@]1(C)CC[C@@H]([C@H](C)C(C)O)O1.
What is the InChIKey of (3R)-3-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]butan-2-ol?
The InChIKey is DTMNLTMKMOJMPJ-RRPPZXBKSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-11(4)7-6-10(13-11)8(2)9(3)12/h5,8-10,12H,1,6-7H2,2-4H3/t8-,9?,10+,11+/m1/s1.
What are the key properties of (3R)-3-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]butan-2-ol?
(3R)-3-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]butan-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 (3R)-3-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]butan-2-ol is sourced from PubChem (CID 45113877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).