8-hexoxy-4,8-dimethylnon-1-en-3-ol

C17H34O2 — CID 134207770

IUPAC8-hexoxy-4,8-dimethylnon-1-en-3-ol
SMILESC=CC(O)C(C)CCCC(C)(C)OCCCCCC
InChIInChI=1S/C17H34O2/c1-6-8-9-10-14-19-17(4,5)13-11-12-15(3)16(18)7-2/h7,15-16,18H,2,6,8-14H2,1,3-5H3
InChIKeyRBYURDMNACZMQJ-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.72
Rot. Bonds12

About 8-hexoxy-4,8-dimethylnon-1-en-3-ol

8-hexoxy-4,8-dimethylnon-1-en-3-ol (PubChem CID 134207770) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 8-hexoxy-4,8-dimethylnon-1-en-3-ol.

Molecular Properties

Compound Name8-hexoxy-4,8-dimethylnon-1-en-3-ol
PubChem CID134207770
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name8-hexoxy-4,8-dimethylnon-1-en-3-ol
SMILESC=CC(O)C(C)CCCC(C)(C)OCCCCCC
InChIInChI=1S/C17H34O2/c1-6-8-9-10-14-19-17(4,5)13-11-12-15(3)16(18)7-2/h7,15-16,18H,2,6,8-14H2,1,3-5H3
InChIKeyRBYURDMNACZMQJ-UHFFFAOYSA-N
XLogP4.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.72
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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Frequently Asked Questions

What is the IUPAC name of 8-hexoxy-4,8-dimethylnon-1-en-3-ol?
The IUPAC name of 8-hexoxy-4,8-dimethylnon-1-en-3-ol (CID 134207770) is 8-hexoxy-4,8-dimethylnon-1-en-3-ol.
What is the SMILES notation for 8-hexoxy-4,8-dimethylnon-1-en-3-ol?
The canonical SMILES for 8-hexoxy-4,8-dimethylnon-1-en-3-ol is C=CC(O)C(C)CCCC(C)(C)OCCCCCC.
What is the InChIKey of 8-hexoxy-4,8-dimethylnon-1-en-3-ol?
The InChIKey is RBYURDMNACZMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-6-8-9-10-14-19-17(4,5)13-11-12-15(3)16(18)7-2/h7,15-16,18H,2,6,8-14H2,1,3-5H3.
What are the key properties of 8-hexoxy-4,8-dimethylnon-1-en-3-ol?
8-hexoxy-4,8-dimethylnon-1-en-3-ol has a molecular weight of 270.46 g/mol, XLogP of 4.72, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hexoxy-4,8-dimethylnon-1-en-3-ol is sourced from PubChem (CID 134207770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).