(2R,3S,4S)-4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-ol

C11H20O3 — CID 71762816

IUPAC(2R,3S,4S)-4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-ol
SMILESC=C[C@H](C)[C@H](O)[C@@H](C)C1(C)OCCO1
InChIInChI=1S/C11H20O3/c1-5-8(2)10(12)9(3)11(4)13-6-7-14-11/h5,8-10,12H,1,6-7H2,2-4H3/t8-,9+,10-/m0/s1
InChIKeyZTJANBLIYVEGMF-AEJSXWLSSA-N
MW200.28 g/mol
LogP1.57
Rot. Bonds4

About (2R,3S,4S)-4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-ol

(2R,3S,4S)-4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-ol (PubChem CID 71762816) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2R,3S,4S)-4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-ol.

Molecular Properties

Compound Name(2R,3S,4S)-4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-ol
PubChem CID71762816
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(2R,3S,4S)-4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-ol
SMILESC=C[C@H](C)[C@H](O)[C@@H](C)C1(C)OCCO1
InChIInChI=1S/C11H20O3/c1-5-8(2)10(12)9(3)11(4)13-6-7-14-11/h5,8-10,12H,1,6-7H2,2-4H3/t8-,9+,10-/m0/s1
InChIKeyZTJANBLIYVEGMF-AEJSXWLSSA-N
XLogP1.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,3S,4S)-4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-ol?
The IUPAC name of (2R,3S,4S)-4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-ol (CID 71762816) is (2R,3S,4S)-4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-ol.
What is the SMILES notation for (2R,3S,4S)-4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-ol?
The canonical SMILES for (2R,3S,4S)-4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-ol is C=C[C@H](C)[C@H](O)[C@@H](C)C1(C)OCCO1.
What is the InChIKey of (2R,3S,4S)-4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-ol?
The InChIKey is ZTJANBLIYVEGMF-AEJSXWLSSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-8(2)10(12)9(3)11(4)13-6-7-14-11/h5,8-10,12H,1,6-7H2,2-4H3/t8-,9+,10-/m0/s1.
What are the key properties of (2R,3S,4S)-4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-ol?
(2R,3S,4S)-4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-ol has a molecular weight of 200.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-4-methyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-ol is sourced from PubChem (CID 71762816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).