(Z)-2,2,8-trimethylnon-3-en-3-ol

C12H24O — CID 6442064

IUPAC(Z)-2,2,8-trimethylnon-3-en-3-ol
SMILESCC(C)CCC/C=C(\O)C(C)(C)C
InChIInChI=1S/C12H24O/c1-10(2)8-6-7-9-11(13)12(3,4)5/h9-10,13H,6-8H2,1-5H3/b11-9-
InChIKeyPKDBKVJGYKPROI-LUAWRHEFSA-N
MW184.32 g/mol
LogP4.30
Rot. Bonds4

About (Z)-2,2,8-trimethylnon-3-en-3-ol

(Z)-2,2,8-trimethylnon-3-en-3-ol (PubChem CID 6442064) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (Z)-2,2,8-trimethylnon-3-en-3-ol.

Molecular Properties

Compound Name(Z)-2,2,8-trimethylnon-3-en-3-ol
PubChem CID6442064
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(Z)-2,2,8-trimethylnon-3-en-3-ol
SMILESCC(C)CCC/C=C(\O)C(C)(C)C
InChIInChI=1S/C12H24O/c1-10(2)8-6-7-9-11(13)12(3,4)5/h9-10,13H,6-8H2,1-5H3/b11-9-
InChIKeyPKDBKVJGYKPROI-LUAWRHEFSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,2,8-trimethylnon-3-en-3-ol?
The IUPAC name of (Z)-2,2,8-trimethylnon-3-en-3-ol (CID 6442064) is (Z)-2,2,8-trimethylnon-3-en-3-ol.
What is the SMILES notation for (Z)-2,2,8-trimethylnon-3-en-3-ol?
The canonical SMILES for (Z)-2,2,8-trimethylnon-3-en-3-ol is CC(C)CCC/C=C(\O)C(C)(C)C.
What is the InChIKey of (Z)-2,2,8-trimethylnon-3-en-3-ol?
The InChIKey is PKDBKVJGYKPROI-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H24O/c1-10(2)8-6-7-9-11(13)12(3,4)5/h9-10,13H,6-8H2,1-5H3/b11-9-.
What are the key properties of (Z)-2,2,8-trimethylnon-3-en-3-ol?
(Z)-2,2,8-trimethylnon-3-en-3-ol has a molecular weight of 184.32 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2,8-trimethylnon-3-en-3-ol is sourced from PubChem (CID 6442064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).