(5E)-2,4,4,7-tetramethylocta-5,7-dien-3-ol

C12H22O — CID 5368975

IUPAC(5E)-2,4,4,7-tetramethylocta-5,7-dien-3-ol
SMILESC=C(C)/C=C/C(C)(C)C(O)C(C)C
InChIInChI=1S/C12H22O/c1-9(2)7-8-12(5,6)11(13)10(3)4/h7-8,10-11,13H,1H2,2-6H3/b8-7+
InChIKeyUMCQKTYQMNTBJK-BQYQJAHWSA-N
MW182.31 g/mol
LogP3.16
Rot. Bonds4

About (5E)-2,4,4,7-tetramethylocta-5,7-dien-3-ol

(5E)-2,4,4,7-tetramethylocta-5,7-dien-3-ol (PubChem CID 5368975) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (5E)-2,4,4,7-tetramethylocta-5,7-dien-3-ol.

Molecular Properties

Compound Name(5E)-2,4,4,7-tetramethylocta-5,7-dien-3-ol
PubChem CID5368975
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(5E)-2,4,4,7-tetramethylocta-5,7-dien-3-ol
SMILESC=C(C)/C=C/C(C)(C)C(O)C(C)C
InChIInChI=1S/C12H22O/c1-9(2)7-8-12(5,6)11(13)10(3)4/h7-8,10-11,13H,1H2,2-6H3/b8-7+
InChIKeyUMCQKTYQMNTBJK-BQYQJAHWSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-2,4,4,7-tetramethylocta-5,7-dien-3-ol?
The IUPAC name of (5E)-2,4,4,7-tetramethylocta-5,7-dien-3-ol (CID 5368975) is (5E)-2,4,4,7-tetramethylocta-5,7-dien-3-ol.
What is the SMILES notation for (5E)-2,4,4,7-tetramethylocta-5,7-dien-3-ol?
The canonical SMILES for (5E)-2,4,4,7-tetramethylocta-5,7-dien-3-ol is C=C(C)/C=C/C(C)(C)C(O)C(C)C.
What is the InChIKey of (5E)-2,4,4,7-tetramethylocta-5,7-dien-3-ol?
The InChIKey is UMCQKTYQMNTBJK-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H22O/c1-9(2)7-8-12(5,6)11(13)10(3)4/h7-8,10-11,13H,1H2,2-6H3/b8-7+.
What are the key properties of (5E)-2,4,4,7-tetramethylocta-5,7-dien-3-ol?
(5E)-2,4,4,7-tetramethylocta-5,7-dien-3-ol has a molecular weight of 182.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2,4,4,7-tetramethylocta-5,7-dien-3-ol is sourced from PubChem (CID 5368975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).