3,4,5-trimethylhepta-1,6-dien-4-ol

C10H18O — CID 14026946

IUPAC3,4,5-trimethylhepta-1,6-dien-4-ol
SMILESC=CC(C)C(C)(O)C(C)C=C
InChIInChI=1S/C10H18O/c1-6-8(3)10(5,11)9(4)7-2/h6-9,11H,1-2H2,3-5H3
InChIKeyXAMAUUDQHASDQU-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.38
Rot. Bonds4

About 3,4,5-trimethylhepta-1,6-dien-4-ol

3,4,5-trimethylhepta-1,6-dien-4-ol (PubChem CID 14026946) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3,4,5-trimethylhepta-1,6-dien-4-ol.

Molecular Properties

Compound Name3,4,5-trimethylhepta-1,6-dien-4-ol
PubChem CID14026946
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3,4,5-trimethylhepta-1,6-dien-4-ol
SMILESC=CC(C)C(C)(O)C(C)C=C
InChIInChI=1S/C10H18O/c1-6-8(3)10(5,11)9(4)7-2/h6-9,11H,1-2H2,3-5H3
InChIKeyXAMAUUDQHASDQU-UHFFFAOYSA-N
XLogP2.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.38
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 3,4,5-trimethylhepta-1,6-dien-4-ol?
The IUPAC name of 3,4,5-trimethylhepta-1,6-dien-4-ol (CID 14026946) is 3,4,5-trimethylhepta-1,6-dien-4-ol.
What is the SMILES notation for 3,4,5-trimethylhepta-1,6-dien-4-ol?
The canonical SMILES for 3,4,5-trimethylhepta-1,6-dien-4-ol is C=CC(C)C(C)(O)C(C)C=C.
What is the InChIKey of 3,4,5-trimethylhepta-1,6-dien-4-ol?
The InChIKey is XAMAUUDQHASDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-6-8(3)10(5,11)9(4)7-2/h6-9,11H,1-2H2,3-5H3.
What are the key properties of 3,4,5-trimethylhepta-1,6-dien-4-ol?
3,4,5-trimethylhepta-1,6-dien-4-ol has a molecular weight of 154.25 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethylhepta-1,6-dien-4-ol is sourced from PubChem (CID 14026946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).