(2R)-1-[(2R,3R,4R,5S)-4-ethyl-3-methyl-5-prop-2-enyloxolan-2-yl]butan-2-ol

C14H26O2 — CID 121338916

IUPAC(2R)-1-[(2R,3R,4R,5S)-4-ethyl-3-methyl-5-prop-2-enyloxolan-2-yl]butan-2-ol
SMILESC=CC[C@@H]1O[C@H](C[C@H](O)CC)[C@H](C)[C@H]1CC
InChIInChI=1S/C14H26O2/c1-5-8-13-12(7-3)10(4)14(16-13)9-11(15)6-2/h5,10-15H,1,6-9H2,2-4H3/t10-,11-,12-,13+,14-/m1/s1
InChIKeyPVHFMQNKMIFFKG-XGFWRYKXSA-N
MW226.36 g/mol
LogP3.15
Rot. Bonds6

About (2R)-1-[(2R,3R,4R,5S)-4-ethyl-3-methyl-5-prop-2-enyloxolan-2-yl]butan-2-ol

(2R)-1-[(2R,3R,4R,5S)-4-ethyl-3-methyl-5-prop-2-enyloxolan-2-yl]butan-2-ol (PubChem CID 121338916) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (2R)-1-[(2R,3R,4R,5S)-4-ethyl-3-methyl-5-prop-2-enyloxolan-2-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2R,3R,4R,5S)-4-ethyl-3-methyl-5-prop-2-enyloxolan-2-yl]butan-2-ol
PubChem CID121338916
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(2R)-1-[(2R,3R,4R,5S)-4-ethyl-3-methyl-5-prop-2-enyloxolan-2-yl]butan-2-ol
SMILESC=CC[C@@H]1O[C@H](C[C@H](O)CC)[C@H](C)[C@H]1CC
InChIInChI=1S/C14H26O2/c1-5-8-13-12(7-3)10(4)14(16-13)9-11(15)6-2/h5,10-15H,1,6-9H2,2-4H3/t10-,11-,12-,13+,14-/m1/s1
InChIKeyPVHFMQNKMIFFKG-XGFWRYKXSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.15
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 (2R)-1-[(2R,3R,4R,5S)-4-ethyl-3-methyl-5-prop-2-enyloxolan-2-yl]butan-2-ol?
The IUPAC name of (2R)-1-[(2R,3R,4R,5S)-4-ethyl-3-methyl-5-prop-2-enyloxolan-2-yl]butan-2-ol (CID 121338916) is (2R)-1-[(2R,3R,4R,5S)-4-ethyl-3-methyl-5-prop-2-enyloxolan-2-yl]butan-2-ol.
What is the SMILES notation for (2R)-1-[(2R,3R,4R,5S)-4-ethyl-3-methyl-5-prop-2-enyloxolan-2-yl]butan-2-ol?
The canonical SMILES for (2R)-1-[(2R,3R,4R,5S)-4-ethyl-3-methyl-5-prop-2-enyloxolan-2-yl]butan-2-ol is C=CC[C@@H]1O[C@H](C[C@H](O)CC)[C@H](C)[C@H]1CC.
What is the InChIKey of (2R)-1-[(2R,3R,4R,5S)-4-ethyl-3-methyl-5-prop-2-enyloxolan-2-yl]butan-2-ol?
The InChIKey is PVHFMQNKMIFFKG-XGFWRYKXSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-8-13-12(7-3)10(4)14(16-13)9-11(15)6-2/h5,10-15H,1,6-9H2,2-4H3/t10-,11-,12-,13+,14-/m1/s1.
What are the key properties of (2R)-1-[(2R,3R,4R,5S)-4-ethyl-3-methyl-5-prop-2-enyloxolan-2-yl]butan-2-ol?
(2R)-1-[(2R,3R,4R,5S)-4-ethyl-3-methyl-5-prop-2-enyloxolan-2-yl]butan-2-ol has a molecular weight of 226.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R,3R,4R,5S)-4-ethyl-3-methyl-5-prop-2-enyloxolan-2-yl]butan-2-ol is sourced from PubChem (CID 121338916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).