(2Z,4E)-4-propan-2-ylhexa-2,4-diene-1,5-diol

C9H16O2 — CID 59007348

IUPAC(2Z,4E)-4-propan-2-ylhexa-2,4-diene-1,5-diol
SMILESC/C(O)=C(\C=C/CO)C(C)C
InChIInChI=1S/C9H16O2/c1-7(2)9(8(3)11)5-4-6-10/h4-5,7,10-11H,6H2,1-3H3/b5-4-,9-8-
InChIKeyUTXPEBWKPAUIAD-WPAMCMATSA-N
MW156.22 g/mol
LogP2.02
Rot. Bonds3

About (2Z,4E)-4-propan-2-ylhexa-2,4-diene-1,5-diol

(2Z,4E)-4-propan-2-ylhexa-2,4-diene-1,5-diol (PubChem CID 59007348) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2Z,4E)-4-propan-2-ylhexa-2,4-diene-1,5-diol.

Molecular Properties

Compound Name(2Z,4E)-4-propan-2-ylhexa-2,4-diene-1,5-diol
PubChem CID59007348
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2Z,4E)-4-propan-2-ylhexa-2,4-diene-1,5-diol
SMILESC/C(O)=C(\C=C/CO)C(C)C
InChIInChI=1S/C9H16O2/c1-7(2)9(8(3)11)5-4-6-10/h4-5,7,10-11H,6H2,1-3H3/b5-4-,9-8-
InChIKeyUTXPEBWKPAUIAD-WPAMCMATSA-N
XLogP2.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-4-propan-2-ylhexa-2,4-diene-1,5-diol?
The IUPAC name of (2Z,4E)-4-propan-2-ylhexa-2,4-diene-1,5-diol (CID 59007348) is (2Z,4E)-4-propan-2-ylhexa-2,4-diene-1,5-diol.
What is the SMILES notation for (2Z,4E)-4-propan-2-ylhexa-2,4-diene-1,5-diol?
The canonical SMILES for (2Z,4E)-4-propan-2-ylhexa-2,4-diene-1,5-diol is C/C(O)=C(\C=C/CO)C(C)C.
What is the InChIKey of (2Z,4E)-4-propan-2-ylhexa-2,4-diene-1,5-diol?
The InChIKey is UTXPEBWKPAUIAD-WPAMCMATSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(2)9(8(3)11)5-4-6-10/h4-5,7,10-11H,6H2,1-3H3/b5-4-,9-8-.
What are the key properties of (2Z,4E)-4-propan-2-ylhexa-2,4-diene-1,5-diol?
(2Z,4E)-4-propan-2-ylhexa-2,4-diene-1,5-diol has a molecular weight of 156.22 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-propan-2-ylhexa-2,4-diene-1,5-diol is sourced from PubChem (CID 59007348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).