(2Z,4E)-6-methylhepta-2,4-dien-4-ol

C8H14O — CID 88856291

IUPAC(2Z,4E)-6-methylhepta-2,4-dien-4-ol
SMILESC/C=C\C(O)=C/C(C)C
InChIInChI=1S/C8H14O/c1-4-5-8(9)6-7(2)3/h4-7,9H,1-3H3/b5-4-,8-6+
InChIKeyGGJACIVDDYMEBM-GSGSLZOQSA-N
MW126.20 g/mol
LogP2.66
Rot. Bonds2

About (2Z,4E)-6-methylhepta-2,4-dien-4-ol

(2Z,4E)-6-methylhepta-2,4-dien-4-ol (PubChem CID 88856291) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2Z,4E)-6-methylhepta-2,4-dien-4-ol.

Molecular Properties

Compound Name(2Z,4E)-6-methylhepta-2,4-dien-4-ol
PubChem CID88856291
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2Z,4E)-6-methylhepta-2,4-dien-4-ol
SMILESC/C=C\C(O)=C/C(C)C
InChIInChI=1S/C8H14O/c1-4-5-8(9)6-7(2)3/h4-7,9H,1-3H3/b5-4-,8-6+
InChIKeyGGJACIVDDYMEBM-GSGSLZOQSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.66
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 (2Z,4E)-6-methylhepta-2,4-dien-4-ol?
The IUPAC name of (2Z,4E)-6-methylhepta-2,4-dien-4-ol (CID 88856291) is (2Z,4E)-6-methylhepta-2,4-dien-4-ol.
What is the SMILES notation for (2Z,4E)-6-methylhepta-2,4-dien-4-ol?
The canonical SMILES for (2Z,4E)-6-methylhepta-2,4-dien-4-ol is C/C=C\C(O)=C/C(C)C.
What is the InChIKey of (2Z,4E)-6-methylhepta-2,4-dien-4-ol?
The InChIKey is GGJACIVDDYMEBM-GSGSLZOQSA-N. The full InChI is InChI=1S/C8H14O/c1-4-5-8(9)6-7(2)3/h4-7,9H,1-3H3/b5-4-,8-6+.
What are the key properties of (2Z,4E)-6-methylhepta-2,4-dien-4-ol?
(2Z,4E)-6-methylhepta-2,4-dien-4-ol has a molecular weight of 126.20 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-6-methylhepta-2,4-dien-4-ol is sourced from PubChem (CID 88856291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).