(3E)-2,5,5-trimethylhepta-3,6-dien-2-ol

C10H18O — CID 5315406

IUPAC(3E)-2,5,5-trimethylhepta-3,6-dien-2-ol
SMILESC=CC(C)(C)/C=C/C(C)(C)O
InChIInChI=1S/C10H18O/c1-6-9(2,3)7-8-10(4,5)11/h6-8,11H,1H2,2-5H3/b8-7+
InChIKeyCSMMFGCGBLZIJE-BQYQJAHWSA-N
MW154.25 g/mol
LogP2.53
Rot. Bonds3

About (3E)-2,5,5-trimethylhepta-3,6-dien-2-ol

(3E)-2,5,5-trimethylhepta-3,6-dien-2-ol (PubChem CID 5315406) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (3E)-2,5,5-trimethylhepta-3,6-dien-2-ol.

Molecular Properties

Compound Name(3E)-2,5,5-trimethylhepta-3,6-dien-2-ol
PubChem CID5315406
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(3E)-2,5,5-trimethylhepta-3,6-dien-2-ol
SMILESC=CC(C)(C)/C=C/C(C)(C)O
InChIInChI=1S/C10H18O/c1-6-9(2,3)7-8-10(4,5)11/h6-8,11H,1H2,2-5H3/b8-7+
InChIKeyCSMMFGCGBLZIJE-BQYQJAHWSA-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 (3E)-2,5,5-trimethylhepta-3,6-dien-2-ol?
The IUPAC name of (3E)-2,5,5-trimethylhepta-3,6-dien-2-ol (CID 5315406) is (3E)-2,5,5-trimethylhepta-3,6-dien-2-ol.
What is the SMILES notation for (3E)-2,5,5-trimethylhepta-3,6-dien-2-ol?
The canonical SMILES for (3E)-2,5,5-trimethylhepta-3,6-dien-2-ol is C=CC(C)(C)/C=C/C(C)(C)O.
What is the InChIKey of (3E)-2,5,5-trimethylhepta-3,6-dien-2-ol?
The InChIKey is CSMMFGCGBLZIJE-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H18O/c1-6-9(2,3)7-8-10(4,5)11/h6-8,11H,1H2,2-5H3/b8-7+.
What are the key properties of (3E)-2,5,5-trimethylhepta-3,6-dien-2-ol?
(3E)-2,5,5-trimethylhepta-3,6-dien-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 (3E)-2,5,5-trimethylhepta-3,6-dien-2-ol is sourced from PubChem (CID 5315406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).