(2S,3R)-4,4-diethyl-2-prop-2-enyloxolan-3-ol

C11H20O2 — CID 101107107

IUPAC(2S,3R)-4,4-diethyl-2-prop-2-enyloxolan-3-ol
SMILESC=CC[C@@H]1OCC(CC)(CC)[C@H]1O
InChIInChI=1S/C11H20O2/c1-4-7-9-10(12)11(5-2,6-3)8-13-9/h4,9-10,12H,1,5-8H2,2-3H3/t9-,10-/m0/s1
InChIKeyJBLBUMPOFAUKQZ-UWVGGRQHSA-N
MW184.28 g/mol
LogP2.13
Rot. Bonds4

About (2S,3R)-4,4-diethyl-2-prop-2-enyloxolan-3-ol

(2S,3R)-4,4-diethyl-2-prop-2-enyloxolan-3-ol (PubChem CID 101107107) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (2S,3R)-4,4-diethyl-2-prop-2-enyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3R)-4,4-diethyl-2-prop-2-enyloxolan-3-ol
PubChem CID101107107
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(2S,3R)-4,4-diethyl-2-prop-2-enyloxolan-3-ol
SMILESC=CC[C@@H]1OCC(CC)(CC)[C@H]1O
InChIInChI=1S/C11H20O2/c1-4-7-9-10(12)11(5-2,6-3)8-13-9/h4,9-10,12H,1,5-8H2,2-3H3/t9-,10-/m0/s1
InChIKeyJBLBUMPOFAUKQZ-UWVGGRQHSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

(2S,3R,5R)-2-ethenyl-5-methyl-5-propyloxolan-3-ol
CID 11571865
(2S,3R,5S)-2-ethenyl-5-methyl-5-propyloxolan-3-ol
CID 16220344
(3R,4R)-4-prop-1-en-2-yl-2,2-bis(prop-2-enyl)oxolan-3-ol
CID 101847806
(3R,4R)-2,2,4-trimethyl-4-prop-1-en-2-yloxolan-3-ol
CID 135067717
5-Trimethyl-5-vinyltetrahydrofuran-2-methanol
CID 177682660
2-Ethyl-5-prop-2-enyloxolane-3,4-diol
CID 18716211
2-Ethyl-4-methoxy-5-prop-2-enyloxolan-3-ol
CID 18716226
4-(Pent-4-en-1-yl)oxolan-3-ol
CID 58158107
1-(4,5-Dimethyloxolan-2-yl)prop-2-en-1-ol
CID 58723067
3,3-Dibutylhept-6-ene-2,4-diol
CID 66896188
(3R,4S)-4-pent-4-enyloxolan-3-ol
CID 66897008
rac-(3R,4S)-4-(pent-4-en-1-yl)oxolan-3-ol
CID 66897009

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4,4-diethyl-2-prop-2-enyloxolan-3-ol?
The IUPAC name of (2S,3R)-4,4-diethyl-2-prop-2-enyloxolan-3-ol (CID 101107107) is (2S,3R)-4,4-diethyl-2-prop-2-enyloxolan-3-ol.
What is the SMILES notation for (2S,3R)-4,4-diethyl-2-prop-2-enyloxolan-3-ol?
The canonical SMILES for (2S,3R)-4,4-diethyl-2-prop-2-enyloxolan-3-ol is C=CC[C@@H]1OCC(CC)(CC)[C@H]1O.
What is the InChIKey of (2S,3R)-4,4-diethyl-2-prop-2-enyloxolan-3-ol?
The InChIKey is JBLBUMPOFAUKQZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-7-9-10(12)11(5-2,6-3)8-13-9/h4,9-10,12H,1,5-8H2,2-3H3/t9-,10-/m0/s1.
What are the key properties of (2S,3R)-4,4-diethyl-2-prop-2-enyloxolan-3-ol?
(2S,3R)-4,4-diethyl-2-prop-2-enyloxolan-3-ol has a molecular weight of 184.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4,4-diethyl-2-prop-2-enyloxolan-3-ol is sourced from PubChem (CID 101107107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).