2-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclopentan-1-ol

C11H18O — CID 126626723

IUPAC2-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclopentan-1-ol
SMILESC/C=C\C(=C/C)C1CCCC1O
InChIInChI=1S/C11H18O/c1-3-6-9(4-2)10-7-5-8-11(10)12/h3-4,6,10-12H,5,7-8H2,1-2H3/b6-3-,9-4+
InChIKeyBZYFGIOKSVLQMP-BDAIYAMOSA-N
MW166.26 g/mol
LogP2.67
Rot. Bonds2

About 2-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclopentan-1-ol

2-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclopentan-1-ol (PubChem CID 126626723) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclopentan-1-ol
PubChem CID126626723
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclopentan-1-ol
SMILESC/C=C\C(=C/C)C1CCCC1O
InChIInChI=1S/C11H18O/c1-3-6-9(4-2)10-7-5-8-11(10)12/h3-4,6,10-12H,5,7-8H2,1-2H3/b6-3-,9-4+
InChIKeyBZYFGIOKSVLQMP-BDAIYAMOSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.67
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 2-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclopentan-1-ol?
The IUPAC name of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclopentan-1-ol (CID 126626723) is 2-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclopentan-1-ol is C/C=C\C(=C/C)C1CCCC1O.
What is the InChIKey of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclopentan-1-ol?
The InChIKey is BZYFGIOKSVLQMP-BDAIYAMOSA-N. The full InChI is InChI=1S/C11H18O/c1-3-6-9(4-2)10-7-5-8-11(10)12/h3-4,6,10-12H,5,7-8H2,1-2H3/b6-3-,9-4+.
What are the key properties of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclopentan-1-ol?
2-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclopentan-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclopentan-1-ol is sourced from PubChem (CID 126626723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).