(2R)-2-[(2S,5S)-5-but-3-enyloxolan-2-yl]pent-4-en-1-ol

C13H22O2 — CID 144766175

IUPAC(2R)-2-[(2S,5S)-5-but-3-enyloxolan-2-yl]pent-4-en-1-ol
SMILESC=CCC[C@H]1CC[C@@H]([C@@H](CO)CC=C)O1
InChIInChI=1S/C13H22O2/c1-3-5-7-12-8-9-13(15-12)11(10-14)6-4-2/h3-4,11-14H,1-2,5-10H2/t11-,12+,13+/m1/s1
InChIKeyBJEQWXCYFKNIPI-AGIUHOORSA-N
MW210.32 g/mol
LogP2.68
Rot. Bonds7

About (2R)-2-[(2S,5S)-5-but-3-enyloxolan-2-yl]pent-4-en-1-ol

(2R)-2-[(2S,5S)-5-but-3-enyloxolan-2-yl]pent-4-en-1-ol (PubChem CID 144766175) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (2R)-2-[(2S,5S)-5-but-3-enyloxolan-2-yl]pent-4-en-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2S,5S)-5-but-3-enyloxolan-2-yl]pent-4-en-1-ol
PubChem CID144766175
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(2R)-2-[(2S,5S)-5-but-3-enyloxolan-2-yl]pent-4-en-1-ol
SMILESC=CCC[C@H]1CC[C@@H]([C@@H](CO)CC=C)O1
InChIInChI=1S/C13H22O2/c1-3-5-7-12-8-9-13(15-12)11(10-14)6-4-2/h3-4,11-14H,1-2,5-10H2/t11-,12+,13+/m1/s1
InChIKeyBJEQWXCYFKNIPI-AGIUHOORSA-N
XLogP2.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-[(2S,5S)-5-but-3-enyloxolan-2-yl]pent-4-en-1-ol with MolForge

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Related Compounds

Lilac alcohol
CID 526973
(1S,3S)-1-cyclohexylhex-5-ene-1,3-diol
CID 57681723
(2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol
CID 176613058
3-(5-Methyl-5-vinyltetrahydrofuran-2-yl)butan-2-ol
CID 75094173
(3S,4S,7R,8R)-4,7-bis(ethenyl)-2,9-dimethyldecane-3,8-diol
CID 10015198
(3R,4R,7S,8S)-4,7-bis(ethenyl)decane-3,8-diol
CID 10443713
(2R)-2-[(2S,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-yl]propan-1-ol
CID 16680391
(3R)-3-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]butan-2-ol
CID 45113877
(2R,3R,4S,5R)-2,4-dimethylnon-8-ene-1,3,5-triol
CID 124221669
[(2R,3R,4R)-4-ethenyl-2-(2-methylpropyl)oxolan-3-yl]methanol
CID 134961063
1-Allyl-4-cycloundecanol
CID 137552845
2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-1-ol
CID 6428244

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,5S)-5-but-3-enyloxolan-2-yl]pent-4-en-1-ol?
The IUPAC name of (2R)-2-[(2S,5S)-5-but-3-enyloxolan-2-yl]pent-4-en-1-ol (CID 144766175) is (2R)-2-[(2S,5S)-5-but-3-enyloxolan-2-yl]pent-4-en-1-ol.
What is the SMILES notation for (2R)-2-[(2S,5S)-5-but-3-enyloxolan-2-yl]pent-4-en-1-ol?
The canonical SMILES for (2R)-2-[(2S,5S)-5-but-3-enyloxolan-2-yl]pent-4-en-1-ol is C=CCC[C@H]1CC[C@@H]([C@@H](CO)CC=C)O1.
What is the InChIKey of (2R)-2-[(2S,5S)-5-but-3-enyloxolan-2-yl]pent-4-en-1-ol?
The InChIKey is BJEQWXCYFKNIPI-AGIUHOORSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-5-7-12-8-9-13(15-12)11(10-14)6-4-2/h3-4,11-14H,1-2,5-10H2/t11-,12+,13+/m1/s1.
What are the key properties of (2R)-2-[(2S,5S)-5-but-3-enyloxolan-2-yl]pent-4-en-1-ol?
(2R)-2-[(2S,5S)-5-but-3-enyloxolan-2-yl]pent-4-en-1-ol has a molecular weight of 210.32 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,5S)-5-but-3-enyloxolan-2-yl]pent-4-en-1-ol is sourced from PubChem (CID 144766175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).