[(2E)-hexa-2,5-dien-2-yl]oxycyclohexane

C12H20O — CID 10845101

IUPAC[(2E)-hexa-2,5-dien-2-yl]oxycyclohexane
SMILESC=CC/C=C(\C)OC1CCCCC1
InChIInChI=1S/C12H20O/c1-3-4-8-11(2)13-12-9-6-5-7-10-12/h3,8,12H,1,4-7,9-10H2,2H3/b11-8+
InChIKeyMOBGZLLIUXJFCK-DHZHZOJOSA-N
MW180.29 g/mol
LogP3.82
Rot. Bonds4

About [(2E)-hexa-2,5-dien-2-yl]oxycyclohexane

[(2E)-hexa-2,5-dien-2-yl]oxycyclohexane (PubChem CID 10845101) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is [(2E)-hexa-2,5-dien-2-yl]oxycyclohexane.

Molecular Properties

Compound Name[(2E)-hexa-2,5-dien-2-yl]oxycyclohexane
PubChem CID10845101
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name[(2E)-hexa-2,5-dien-2-yl]oxycyclohexane
SMILESC=CC/C=C(\C)OC1CCCCC1
InChIInChI=1S/C12H20O/c1-3-4-8-11(2)13-12-9-6-5-7-10-12/h3,8,12H,1,4-7,9-10H2,2H3/b11-8+
InChIKeyMOBGZLLIUXJFCK-DHZHZOJOSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E)-hexa-2,5-dien-2-yl]oxycyclohexane?
The IUPAC name of [(2E)-hexa-2,5-dien-2-yl]oxycyclohexane (CID 10845101) is [(2E)-hexa-2,5-dien-2-yl]oxycyclohexane.
What is the SMILES notation for [(2E)-hexa-2,5-dien-2-yl]oxycyclohexane?
The canonical SMILES for [(2E)-hexa-2,5-dien-2-yl]oxycyclohexane is C=CC/C=C(\C)OC1CCCCC1.
What is the InChIKey of [(2E)-hexa-2,5-dien-2-yl]oxycyclohexane?
The InChIKey is MOBGZLLIUXJFCK-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H20O/c1-3-4-8-11(2)13-12-9-6-5-7-10-12/h3,8,12H,1,4-7,9-10H2,2H3/b11-8+.
What are the key properties of [(2E)-hexa-2,5-dien-2-yl]oxycyclohexane?
[(2E)-hexa-2,5-dien-2-yl]oxycyclohexane has a molecular weight of 180.29 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-hexa-2,5-dien-2-yl]oxycyclohexane is sourced from PubChem (CID 10845101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).