1-[(2-methylpropan-2-yl)oxy]non-8-en-2-ol

C13H26O2 — CID 107012250

IUPAC1-[(2-methylpropan-2-yl)oxy]non-8-en-2-ol
SMILESC=CCCCCCC(O)COC(C)(C)C
InChIInChI=1S/C13H26O2/c1-5-6-7-8-9-10-12(14)11-15-13(2,3)4/h5,12,14H,1,6-11H2,2-4H3
InChIKeyRBYMITMJCBYGPT-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.30
Rot. Bonds8

About 1-[(2-methylpropan-2-yl)oxy]non-8-en-2-ol

1-[(2-methylpropan-2-yl)oxy]non-8-en-2-ol (PubChem CID 107012250) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]non-8-en-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]non-8-en-2-ol
PubChem CID107012250
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-[(2-methylpropan-2-yl)oxy]non-8-en-2-ol
SMILESC=CCCCCCC(O)COC(C)(C)C
InChIInChI=1S/C13H26O2/c1-5-6-7-8-9-10-12(14)11-15-13(2,3)4/h5,12,14H,1,6-11H2,2-4H3
InChIKeyRBYMITMJCBYGPT-UHFFFAOYSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 176971023
3-methoxy-2,2-dimethylundec-10-en-4-ol
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CID 12003548
(2R,4R)-nonadec-18-ene-1,2,4-triol
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]non-8-en-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]non-8-en-2-ol (CID 107012250) is 1-[(2-methylpropan-2-yl)oxy]non-8-en-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]non-8-en-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]non-8-en-2-ol is C=CCCCCCC(O)COC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]non-8-en-2-ol?
The InChIKey is RBYMITMJCBYGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-5-6-7-8-9-10-12(14)11-15-13(2,3)4/h5,12,14H,1,6-11H2,2-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]non-8-en-2-ol?
1-[(2-methylpropan-2-yl)oxy]non-8-en-2-ol has a molecular weight of 214.35 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]non-8-en-2-ol is sourced from PubChem (CID 107012250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).