2,4,4-trimethyl-3-methylidenehex-5-en-2-ol

C10H18O — CID 162932178

IUPAC2,4,4-trimethyl-3-methylidenehex-5-en-2-ol
SMILESC=CC(C)(C)C(=C)C(C)(C)O
InChIInChI=1S/C10H18O/c1-7-9(3,4)8(2)10(5,6)11/h7,11H,1-2H2,3-6H3
InChIKeyFTVTXSVUPHFUIT-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.53
Rot. Bonds3

About 2,4,4-trimethyl-3-methylidenehex-5-en-2-ol

2,4,4-trimethyl-3-methylidenehex-5-en-2-ol (PubChem CID 162932178) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,4,4-trimethyl-3-methylidenehex-5-en-2-ol.

Molecular Properties

Compound Name2,4,4-trimethyl-3-methylidenehex-5-en-2-ol
PubChem CID162932178
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,4,4-trimethyl-3-methylidenehex-5-en-2-ol
SMILESC=CC(C)(C)C(=C)C(C)(C)O
InChIInChI=1S/C10H18O/c1-7-9(3,4)8(2)10(5,6)11/h7,11H,1-2H2,3-6H3
InChIKeyFTVTXSVUPHFUIT-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.53
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 2,4,4-trimethyl-3-methylidenehex-5-en-2-ol?
The IUPAC name of 2,4,4-trimethyl-3-methylidenehex-5-en-2-ol (CID 162932178) is 2,4,4-trimethyl-3-methylidenehex-5-en-2-ol.
What is the SMILES notation for 2,4,4-trimethyl-3-methylidenehex-5-en-2-ol?
The canonical SMILES for 2,4,4-trimethyl-3-methylidenehex-5-en-2-ol is C=CC(C)(C)C(=C)C(C)(C)O.
What is the InChIKey of 2,4,4-trimethyl-3-methylidenehex-5-en-2-ol?
The InChIKey is FTVTXSVUPHFUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7-9(3,4)8(2)10(5,6)11/h7,11H,1-2H2,3-6H3.
What are the key properties of 2,4,4-trimethyl-3-methylidenehex-5-en-2-ol?
2,4,4-trimethyl-3-methylidenehex-5-en-2-ol has a molecular weight of 154.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-3-methylidenehex-5-en-2-ol is sourced from PubChem (CID 162932178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).