1-ethoxy-2-methylhex-5-en-2-ol

C9H18O2 — CID 104656420

IUPAC1-ethoxy-2-methylhex-5-en-2-ol
SMILESC=CCCC(C)(O)COCC
InChIInChI=1S/C9H18O2/c1-4-6-7-9(3,10)8-11-5-2/h4,10H,1,5-8H2,2-3H3
InChIKeyVCIOCRTXXHHGEH-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.74
Rot. Bonds6

About 1-ethoxy-2-methylhex-5-en-2-ol

1-ethoxy-2-methylhex-5-en-2-ol (PubChem CID 104656420) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-ethoxy-2-methylhex-5-en-2-ol.

Molecular Properties

Compound Name1-ethoxy-2-methylhex-5-en-2-ol
PubChem CID104656420
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name1-ethoxy-2-methylhex-5-en-2-ol
SMILESC=CCCC(C)(O)COCC
InChIInChI=1S/C9H18O2/c1-4-6-7-9(3,10)8-11-5-2/h4,10H,1,5-8H2,2-3H3
InChIKeyVCIOCRTXXHHGEH-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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 1-ethoxy-2-methylhex-5-en-2-ol?
The IUPAC name of 1-ethoxy-2-methylhex-5-en-2-ol (CID 104656420) is 1-ethoxy-2-methylhex-5-en-2-ol.
What is the SMILES notation for 1-ethoxy-2-methylhex-5-en-2-ol?
The canonical SMILES for 1-ethoxy-2-methylhex-5-en-2-ol is C=CCCC(C)(O)COCC.
What is the InChIKey of 1-ethoxy-2-methylhex-5-en-2-ol?
The InChIKey is VCIOCRTXXHHGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-6-7-9(3,10)8-11-5-2/h4,10H,1,5-8H2,2-3H3.
What are the key properties of 1-ethoxy-2-methylhex-5-en-2-ol?
1-ethoxy-2-methylhex-5-en-2-ol has a molecular weight of 158.24 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methylhex-5-en-2-ol is sourced from PubChem (CID 104656420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).