(2S,3R,4S)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]-4-methylhex-5-en-3-ol

C17H32O3 — CID 134854734

IUPAC(2S,3R,4S)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]-4-methylhex-5-en-3-ol
SMILESC=C[C@H](C)[C@@H](O)[C@H](C)[C@H]1OC(OC(C)C)C(C)CC1C
InChIInChI=1S/C17H32O3/c1-8-11(4)15(18)14(7)16-12(5)9-13(6)17(20-16)19-10(2)3/h8,10-18H,1,9H2,2-7H3/t11-,12?,13?,14-,15+,16-,17?/m0/s1
InChIKeyITKIVHOMPLGZIM-OIGVDETQSA-N
MW284.44 g/mol
LogP3.62
Rot. Bonds6

About (2S,3R,4S)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]-4-methylhex-5-en-3-ol

(2S,3R,4S)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]-4-methylhex-5-en-3-ol (PubChem CID 134854734) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is (2S,3R,4S)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]-4-methylhex-5-en-3-ol.

Molecular Properties

Compound Name(2S,3R,4S)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]-4-methylhex-5-en-3-ol
PubChem CID134854734
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name(2S,3R,4S)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]-4-methylhex-5-en-3-ol
SMILESC=C[C@H](C)[C@@H](O)[C@H](C)[C@H]1OC(OC(C)C)C(C)CC1C
InChIInChI=1S/C17H32O3/c1-8-11(4)15(18)14(7)16-12(5)9-13(6)17(20-16)19-10(2)3/h8,10-18H,1,9H2,2-7H3/t11-,12?,13?,14-,15+,16-,17?/m0/s1
InChIKeyITKIVHOMPLGZIM-OIGVDETQSA-N
XLogP3.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.62
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 (2S,3R,4S)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]-4-methylhex-5-en-3-ol?
The IUPAC name of (2S,3R,4S)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]-4-methylhex-5-en-3-ol (CID 134854734) is (2S,3R,4S)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]-4-methylhex-5-en-3-ol.
What is the SMILES notation for (2S,3R,4S)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]-4-methylhex-5-en-3-ol?
The canonical SMILES for (2S,3R,4S)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]-4-methylhex-5-en-3-ol is C=C[C@H](C)[C@@H](O)[C@H](C)[C@H]1OC(OC(C)C)C(C)CC1C.
What is the InChIKey of (2S,3R,4S)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]-4-methylhex-5-en-3-ol?
The InChIKey is ITKIVHOMPLGZIM-OIGVDETQSA-N. The full InChI is InChI=1S/C17H32O3/c1-8-11(4)15(18)14(7)16-12(5)9-13(6)17(20-16)19-10(2)3/h8,10-18H,1,9H2,2-7H3/t11-,12?,13?,14-,15+,16-,17?/m0/s1.
What are the key properties of (2S,3R,4S)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]-4-methylhex-5-en-3-ol?
(2S,3R,4S)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]-4-methylhex-5-en-3-ol has a molecular weight of 284.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]-4-methylhex-5-en-3-ol is sourced from PubChem (CID 134854734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).