(2R,3R,4R,5S)-4-ethyl-2-[(2R)-2-methylbutyl]-5-prop-2-enyloxolan-3-ol

C14H26O2 — CID 121338914

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

About (2R,3R,4R,5S)-4-ethyl-2-[(2R)-2-methylbutyl]-5-prop-2-enyloxolan-3-ol

(2R,3R,4R,5S)-4-ethyl-2-[(2R)-2-methylbutyl]-5-prop-2-enyloxolan-3-ol (PubChem CID 121338914) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (2R,3R,4R,5S)-4-ethyl-2-[(2R)-2-methylbutyl]-5-prop-2-enyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-4-ethyl-2-[(2R)-2-methylbutyl]-5-prop-2-enyloxolan-3-ol
PubChem CID121338914
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(2R,3R,4R,5S)-4-ethyl-2-[(2R)-2-methylbutyl]-5-prop-2-enyloxolan-3-ol
SMILESC=CC[C@@H]1O[C@H](C[C@H](C)CC)[C@H](O)[C@H]1CC
InChIInChI=1S/C14H26O2/c1-5-8-12-11(7-3)14(15)13(16-12)9-10(4)6-2/h5,10-15H,1,6-9H2,2-4H3/t10-,11+,12+,13-,14-/m1/s1
InChIKeyRYOWQVICGSIRNK-MBJXGIAVSA-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,3R,4R,5S)-4-ethyl-2-[(2R)-2-methylbutyl]-5-prop-2-enyloxolan-3-ol?
The IUPAC name of (2R,3R,4R,5S)-4-ethyl-2-[(2R)-2-methylbutyl]-5-prop-2-enyloxolan-3-ol (CID 121338914) is (2R,3R,4R,5S)-4-ethyl-2-[(2R)-2-methylbutyl]-5-prop-2-enyloxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5S)-4-ethyl-2-[(2R)-2-methylbutyl]-5-prop-2-enyloxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5S)-4-ethyl-2-[(2R)-2-methylbutyl]-5-prop-2-enyloxolan-3-ol is C=CC[C@@H]1O[C@H](C[C@H](C)CC)[C@H](O)[C@H]1CC.
What is the InChIKey of (2R,3R,4R,5S)-4-ethyl-2-[(2R)-2-methylbutyl]-5-prop-2-enyloxolan-3-ol?
The InChIKey is RYOWQVICGSIRNK-MBJXGIAVSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-8-12-11(7-3)14(15)13(16-12)9-10(4)6-2/h5,10-15H,1,6-9H2,2-4H3/t10-,11+,12+,13-,14-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-4-ethyl-2-[(2R)-2-methylbutyl]-5-prop-2-enyloxolan-3-ol?
(2R,3R,4R,5S)-4-ethyl-2-[(2R)-2-methylbutyl]-5-prop-2-enyloxolan-3-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,3R,4R,5S)-4-ethyl-2-[(2R)-2-methylbutyl]-5-prop-2-enyloxolan-3-ol is sourced from PubChem (CID 121338914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).