(E)-2,3,4,5,6,6-hexamethylhept-4-en-2-ol

C13H26O — CID 170849081

IUPAC(E)-2,3,4,5,6,6-hexamethylhept-4-en-2-ol
SMILESC/C(=C(/C)C(C)(C)C)C(C)C(C)(C)O
InChIInChI=1S/C13H26O/c1-9(10(2)12(4,5)6)11(3)13(7,8)14/h11,14H,1-8H3/b10-9+
InChIKeyTVHHANQBWRIEAW-MDZDMXLPSA-N
MW198.35 g/mol
LogP3.78
Rot. Bonds2

About (E)-2,3,4,5,6,6-hexamethylhept-4-en-2-ol

(E)-2,3,4,5,6,6-hexamethylhept-4-en-2-ol (PubChem CID 170849081) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (E)-2,3,4,5,6,6-hexamethylhept-4-en-2-ol.

Molecular Properties

Compound Name(E)-2,3,4,5,6,6-hexamethylhept-4-en-2-ol
PubChem CID170849081
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(E)-2,3,4,5,6,6-hexamethylhept-4-en-2-ol
SMILESC/C(=C(/C)C(C)(C)C)C(C)C(C)(C)O
InChIInChI=1S/C13H26O/c1-9(10(2)12(4,5)6)11(3)13(7,8)14/h11,14H,1-8H3/b10-9+
InChIKeyTVHHANQBWRIEAW-MDZDMXLPSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.78
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 (E)-2,3,4,5,6,6-hexamethylhept-4-en-2-ol?
The IUPAC name of (E)-2,3,4,5,6,6-hexamethylhept-4-en-2-ol (CID 170849081) is (E)-2,3,4,5,6,6-hexamethylhept-4-en-2-ol.
What is the SMILES notation for (E)-2,3,4,5,6,6-hexamethylhept-4-en-2-ol?
The canonical SMILES for (E)-2,3,4,5,6,6-hexamethylhept-4-en-2-ol is C/C(=C(/C)C(C)(C)C)C(C)C(C)(C)O.
What is the InChIKey of (E)-2,3,4,5,6,6-hexamethylhept-4-en-2-ol?
The InChIKey is TVHHANQBWRIEAW-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H26O/c1-9(10(2)12(4,5)6)11(3)13(7,8)14/h11,14H,1-8H3/b10-9+.
What are the key properties of (E)-2,3,4,5,6,6-hexamethylhept-4-en-2-ol?
(E)-2,3,4,5,6,6-hexamethylhept-4-en-2-ol has a molecular weight of 198.35 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3,4,5,6,6-hexamethylhept-4-en-2-ol is sourced from PubChem (CID 170849081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).