2,4,8-trimethylnon-7-en-2-ol

C12H24O — CID 14614417

IUPAC2,4,8-trimethylnon-7-en-2-ol
SMILESCC(C)=CCCC(C)CC(C)(C)O
InChIInChI=1S/C12H24O/c1-10(2)7-6-8-11(3)9-12(4,5)13/h7,11,13H,6,8-9H2,1-5H3
InChIKeyQRDZETOZNQTTCN-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.53
Rot. Bonds5

About 2,4,8-trimethylnon-7-en-2-ol

2,4,8-trimethylnon-7-en-2-ol (PubChem CID 14614417) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2,4,8-trimethylnon-7-en-2-ol.

Molecular Properties

Compound Name2,4,8-trimethylnon-7-en-2-ol
PubChem CID14614417
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2,4,8-trimethylnon-7-en-2-ol
SMILESCC(C)=CCCC(C)CC(C)(C)O
InChIInChI=1S/C12H24O/c1-10(2)7-6-8-11(3)9-12(4,5)13/h7,11,13H,6,8-9H2,1-5H3
InChIKeyQRDZETOZNQTTCN-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,4,8-trimethylnon-7-en-2-ol?
The IUPAC name of 2,4,8-trimethylnon-7-en-2-ol (CID 14614417) is 2,4,8-trimethylnon-7-en-2-ol.
What is the SMILES notation for 2,4,8-trimethylnon-7-en-2-ol?
The canonical SMILES for 2,4,8-trimethylnon-7-en-2-ol is CC(C)=CCCC(C)CC(C)(C)O.
What is the InChIKey of 2,4,8-trimethylnon-7-en-2-ol?
The InChIKey is QRDZETOZNQTTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-10(2)7-6-8-11(3)9-12(4,5)13/h7,11,13H,6,8-9H2,1-5H3.
What are the key properties of 2,4,8-trimethylnon-7-en-2-ol?
2,4,8-trimethylnon-7-en-2-ol has a molecular weight of 184.32 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8-trimethylnon-7-en-2-ol is sourced from PubChem (CID 14614417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).