2,2,8-trimethylnon-8-en-3-ol

C12H24O — CID 18520963

IUPAC2,2,8-trimethylnon-8-en-3-ol
SMILESC=C(C)CCCCC(O)C(C)(C)C
InChIInChI=1S/C12H24O/c1-10(2)8-6-7-9-11(13)12(3,4)5/h11,13H,1,6-9H2,2-5H3
InChIKeyXZBAJCBHBVOCQN-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.53
Rot. Bonds5

About 2,2,8-trimethylnon-8-en-3-ol

2,2,8-trimethylnon-8-en-3-ol (PubChem CID 18520963) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2,2,8-trimethylnon-8-en-3-ol.

Molecular Properties

Compound Name2,2,8-trimethylnon-8-en-3-ol
PubChem CID18520963
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2,2,8-trimethylnon-8-en-3-ol
SMILESC=C(C)CCCCC(O)C(C)(C)C
InChIInChI=1S/C12H24O/c1-10(2)8-6-7-9-11(13)12(3,4)5/h11,13H,1,6-9H2,2-5H3
InChIKeyXZBAJCBHBVOCQN-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': '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 2,2,8-trimethylnon-8-en-3-ol?
The IUPAC name of 2,2,8-trimethylnon-8-en-3-ol (CID 18520963) is 2,2,8-trimethylnon-8-en-3-ol.
What is the SMILES notation for 2,2,8-trimethylnon-8-en-3-ol?
The canonical SMILES for 2,2,8-trimethylnon-8-en-3-ol is C=C(C)CCCCC(O)C(C)(C)C.
What is the InChIKey of 2,2,8-trimethylnon-8-en-3-ol?
The InChIKey is XZBAJCBHBVOCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-10(2)8-6-7-9-11(13)12(3,4)5/h11,13H,1,6-9H2,2-5H3.
What are the key properties of 2,2,8-trimethylnon-8-en-3-ol?
2,2,8-trimethylnon-8-en-3-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 2,2,8-trimethylnon-8-en-3-ol is sourced from PubChem (CID 18520963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).