(3E,5Z)-4-methylhepta-1,3,5-trien-2-ol

C8H12O — CID 88949186

IUPAC(3E,5Z)-4-methylhepta-1,3,5-trien-2-ol
SMILESC=C(O)/C=C(C)/C=C\C
InChIInChI=1S/C8H12O/c1-4-5-7(2)6-8(3)9/h4-6,9H,3H2,1-2H3/b5-4-,7-6+
InChIKeyDUMVXZQOKYKKKO-SCFJQAPRSA-N
MW124.18 g/mol
LogP2.58
Rot. Bonds2

About (3E,5Z)-4-methylhepta-1,3,5-trien-2-ol

(3E,5Z)-4-methylhepta-1,3,5-trien-2-ol (PubChem CID 88949186) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (3E,5Z)-4-methylhepta-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3E,5Z)-4-methylhepta-1,3,5-trien-2-ol
PubChem CID88949186
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(3E,5Z)-4-methylhepta-1,3,5-trien-2-ol
SMILESC=C(O)/C=C(C)/C=C\C
InChIInChI=1S/C8H12O/c1-4-5-7(2)6-8(3)9/h4-6,9H,3H2,1-2H3/b5-4-,7-6+
InChIKeyDUMVXZQOKYKKKO-SCFJQAPRSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-methylhepta-1,3,5-trien-2-ol?
The IUPAC name of (3E,5Z)-4-methylhepta-1,3,5-trien-2-ol (CID 88949186) is (3E,5Z)-4-methylhepta-1,3,5-trien-2-ol.
What is the SMILES notation for (3E,5Z)-4-methylhepta-1,3,5-trien-2-ol?
The canonical SMILES for (3E,5Z)-4-methylhepta-1,3,5-trien-2-ol is C=C(O)/C=C(C)/C=C\C.
What is the InChIKey of (3E,5Z)-4-methylhepta-1,3,5-trien-2-ol?
The InChIKey is DUMVXZQOKYKKKO-SCFJQAPRSA-N. The full InChI is InChI=1S/C8H12O/c1-4-5-7(2)6-8(3)9/h4-6,9H,3H2,1-2H3/b5-4-,7-6+.
What are the key properties of (3E,5Z)-4-methylhepta-1,3,5-trien-2-ol?
(3E,5Z)-4-methylhepta-1,3,5-trien-2-ol has a molecular weight of 124.18 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-methylhepta-1,3,5-trien-2-ol is sourced from PubChem (CID 88949186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).