2-methyl-2-[(Z,2S)-pent-3-en-2-yl]oxypropan-1-ol

C9H18O2 — CID 89313666

IUPAC2-methyl-2-[(Z,2S)-pent-3-en-2-yl]oxypropan-1-ol
SMILESC/C=C\[C@H](C)OC(C)(C)CO
InChIInChI=1S/C9H18O2/c1-5-6-8(2)11-9(3,4)7-10/h5-6,8,10H,7H2,1-4H3/b6-5-/t8-/m0/s1
InChIKeyURJGSMWKMNGTHI-SLGIHZDVSA-N
MW158.24 g/mol
LogP1.74
Rot. Bonds4

About 2-methyl-2-[(Z,2S)-pent-3-en-2-yl]oxypropan-1-ol

2-methyl-2-[(Z,2S)-pent-3-en-2-yl]oxypropan-1-ol (PubChem CID 89313666) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-methyl-2-[(Z,2S)-pent-3-en-2-yl]oxypropan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(Z,2S)-pent-3-en-2-yl]oxypropan-1-ol
PubChem CID89313666
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-methyl-2-[(Z,2S)-pent-3-en-2-yl]oxypropan-1-ol
SMILESC/C=C\[C@H](C)OC(C)(C)CO
InChIInChI=1S/C9H18O2/c1-5-6-8(2)11-9(3,4)7-10/h5-6,8,10H,7H2,1-4H3/b6-5-/t8-/m0/s1
InChIKeyURJGSMWKMNGTHI-SLGIHZDVSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.74
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 2-methyl-2-[(Z,2S)-pent-3-en-2-yl]oxypropan-1-ol?
The IUPAC name of 2-methyl-2-[(Z,2S)-pent-3-en-2-yl]oxypropan-1-ol (CID 89313666) is 2-methyl-2-[(Z,2S)-pent-3-en-2-yl]oxypropan-1-ol.
What is the SMILES notation for 2-methyl-2-[(Z,2S)-pent-3-en-2-yl]oxypropan-1-ol?
The canonical SMILES for 2-methyl-2-[(Z,2S)-pent-3-en-2-yl]oxypropan-1-ol is C/C=C\[C@H](C)OC(C)(C)CO.
What is the InChIKey of 2-methyl-2-[(Z,2S)-pent-3-en-2-yl]oxypropan-1-ol?
The InChIKey is URJGSMWKMNGTHI-SLGIHZDVSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-6-8(2)11-9(3,4)7-10/h5-6,8,10H,7H2,1-4H3/b6-5-/t8-/m0/s1.
What are the key properties of 2-methyl-2-[(Z,2S)-pent-3-en-2-yl]oxypropan-1-ol?
2-methyl-2-[(Z,2S)-pent-3-en-2-yl]oxypropan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(Z,2S)-pent-3-en-2-yl]oxypropan-1-ol is sourced from PubChem (CID 89313666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).