(1E,4E)-4-propan-2-ylhepta-1,4,6-trien-1-ol

C10H16O — CID 170052776

IUPAC(1E,4E)-4-propan-2-ylhepta-1,4,6-trien-1-ol
SMILESC=C/C=C(\C/C=C/O)C(C)C
InChIInChI=1S/C10H16O/c1-4-6-10(9(2)3)7-5-8-11/h4-6,8-9,11H,1,7H2,2-3H3/b8-5+,10-6+
InChIKeyXPNBIMOYPYOJIO-YLDLMLGBSA-N
MW152.24 g/mol
LogP3.22
Rot. Bonds4

About (1E,4E)-4-propan-2-ylhepta-1,4,6-trien-1-ol

(1E,4E)-4-propan-2-ylhepta-1,4,6-trien-1-ol (PubChem CID 170052776) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1E,4E)-4-propan-2-ylhepta-1,4,6-trien-1-ol.

Molecular Properties

Compound Name(1E,4E)-4-propan-2-ylhepta-1,4,6-trien-1-ol
PubChem CID170052776
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1E,4E)-4-propan-2-ylhepta-1,4,6-trien-1-ol
SMILESC=C/C=C(\C/C=C/O)C(C)C
InChIInChI=1S/C10H16O/c1-4-6-10(9(2)3)7-5-8-11/h4-6,8-9,11H,1,7H2,2-3H3/b8-5+,10-6+
InChIKeyXPNBIMOYPYOJIO-YLDLMLGBSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.22
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 (1E,4E)-4-propan-2-ylhepta-1,4,6-trien-1-ol?
The IUPAC name of (1E,4E)-4-propan-2-ylhepta-1,4,6-trien-1-ol (CID 170052776) is (1E,4E)-4-propan-2-ylhepta-1,4,6-trien-1-ol.
What is the SMILES notation for (1E,4E)-4-propan-2-ylhepta-1,4,6-trien-1-ol?
The canonical SMILES for (1E,4E)-4-propan-2-ylhepta-1,4,6-trien-1-ol is C=C/C=C(\C/C=C/O)C(C)C.
What is the InChIKey of (1E,4E)-4-propan-2-ylhepta-1,4,6-trien-1-ol?
The InChIKey is XPNBIMOYPYOJIO-YLDLMLGBSA-N. The full InChI is InChI=1S/C10H16O/c1-4-6-10(9(2)3)7-5-8-11/h4-6,8-9,11H,1,7H2,2-3H3/b8-5+,10-6+.
What are the key properties of (1E,4E)-4-propan-2-ylhepta-1,4,6-trien-1-ol?
(1E,4E)-4-propan-2-ylhepta-1,4,6-trien-1-ol has a molecular weight of 152.24 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-4-propan-2-ylhepta-1,4,6-trien-1-ol is sourced from PubChem (CID 170052776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).