2-methyl-2-[(E)-2-methylhex-3-en-2-yl]oxypropan-1-ol

C11H22O2 — CID 141089271

IUPAC2-methyl-2-[(E)-2-methylhex-3-en-2-yl]oxypropan-1-ol
SMILESCC/C=C/C(C)(C)OC(C)(C)CO
InChIInChI=1S/C11H22O2/c1-6-7-8-10(2,3)13-11(4,5)9-12/h7-8,12H,6,9H2,1-5H3/b8-7+
InChIKeyFNRKDJFHTRYRFA-BQYQJAHWSA-N
MW186.29 g/mol
LogP2.52
Rot. Bonds5

About 2-methyl-2-[(E)-2-methylhex-3-en-2-yl]oxypropan-1-ol

2-methyl-2-[(E)-2-methylhex-3-en-2-yl]oxypropan-1-ol (PubChem CID 141089271) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-methyl-2-[(E)-2-methylhex-3-en-2-yl]oxypropan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(E)-2-methylhex-3-en-2-yl]oxypropan-1-ol
PubChem CID141089271
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-methyl-2-[(E)-2-methylhex-3-en-2-yl]oxypropan-1-ol
SMILESCC/C=C/C(C)(C)OC(C)(C)CO
InChIInChI=1S/C11H22O2/c1-6-7-8-10(2,3)13-11(4,5)9-12/h7-8,12H,6,9H2,1-5H3/b8-7+
InChIKeyFNRKDJFHTRYRFA-BQYQJAHWSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-3,6-dihydro-2H-pyran-2-yl)methanol
CID 10534676
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CID 44361107
2-(3,7-Dimethyl-octa-2,6-dienyloxy)-propane-1,3-diol
CID 44360607
(E,2R)-9-(2-methylbut-3-en-2-yloxy)non-7-en-3,5-diyne-1,2-diol
CID 163041280
(Z,2R)-1-prop-2-enoxyhex-3-en-2-ol
CID 135079442
(2R)-2-methyl-2-prop-2-enoxybut-3-en-1-ol
CID 10942539
2-Methyl-2-((1,2,4-trimethyl-2-penten-1-yl)oxy)-1-propanol
CID 85957692
2-(4,4-Difluoropent-2-enoxy)-2-methylpropan-1-ol
CID 91452014
2-[(E)-4,4-difluoropent-2-enoxy]-2-methylpropan-1-ol;ethane
CID 144089189
2-[(E)-4,4-difluoropent-2-enoxy]-2-methylpropan-1-ol
CID 144089190
1-[(E)-4-fluoropent-3-en-2-yl]oxy-2-methylpropan-2-ol
CID 167082443
2-[(E)-pent-3-en-2-yl]oxyethanol
CID 10796766

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(E)-2-methylhex-3-en-2-yl]oxypropan-1-ol?
The IUPAC name of 2-methyl-2-[(E)-2-methylhex-3-en-2-yl]oxypropan-1-ol (CID 141089271) is 2-methyl-2-[(E)-2-methylhex-3-en-2-yl]oxypropan-1-ol.
What is the SMILES notation for 2-methyl-2-[(E)-2-methylhex-3-en-2-yl]oxypropan-1-ol?
The canonical SMILES for 2-methyl-2-[(E)-2-methylhex-3-en-2-yl]oxypropan-1-ol is CC/C=C/C(C)(C)OC(C)(C)CO.
What is the InChIKey of 2-methyl-2-[(E)-2-methylhex-3-en-2-yl]oxypropan-1-ol?
The InChIKey is FNRKDJFHTRYRFA-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H22O2/c1-6-7-8-10(2,3)13-11(4,5)9-12/h7-8,12H,6,9H2,1-5H3/b8-7+.
What are the key properties of 2-methyl-2-[(E)-2-methylhex-3-en-2-yl]oxypropan-1-ol?
2-methyl-2-[(E)-2-methylhex-3-en-2-yl]oxypropan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-2-methylhex-3-en-2-yl]oxypropan-1-ol is sourced from PubChem (CID 141089271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).