2-[(2E,4E)-5-chloro-2-methylhexa-2,4-dienyl]oxan-4-ol

C12H19ClO2 — CID 144945979

IUPAC2-[(2E,4E)-5-chloro-2-methylhexa-2,4-dienyl]oxan-4-ol
SMILESC/C(Cl)=C\C=C(/C)CC1CC(O)CCO1
InChIInChI=1S/C12H19ClO2/c1-9(3-4-10(2)13)7-12-8-11(14)5-6-15-12/h3-4,11-12,14H,5-8H2,1-2H3/b9-3+,10-4+
InChIKeyTYEUTRRBGFAYSX-LQIBPGRFSA-N
MW230.73 g/mol
LogP3.01
Rot. Bonds3

About 2-[(2E,4E)-5-chloro-2-methylhexa-2,4-dienyl]oxan-4-ol

2-[(2E,4E)-5-chloro-2-methylhexa-2,4-dienyl]oxan-4-ol (PubChem CID 144945979) has the molecular formula C12H19ClO2 and a molecular weight of 230.73 g/mol. Its IUPAC name is 2-[(2E,4E)-5-chloro-2-methylhexa-2,4-dienyl]oxan-4-ol.

Molecular Properties

Compound Name2-[(2E,4E)-5-chloro-2-methylhexa-2,4-dienyl]oxan-4-ol
PubChem CID144945979
Molecular FormulaC12H19ClO2
Molecular Weight230.73 g/mol
Exact Mass230.11
IUPAC Name2-[(2E,4E)-5-chloro-2-methylhexa-2,4-dienyl]oxan-4-ol
SMILESC/C(Cl)=C\C=C(/C)CC1CC(O)CCO1
InChIInChI=1S/C12H19ClO2/c1-9(3-4-10(2)13)7-12-8-11(14)5-6-15-12/h3-4,11-12,14H,5-8H2,1-2H3/b9-3+,10-4+
InChIKeyTYEUTRRBGFAYSX-LQIBPGRFSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.73
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,4E)-5-chloro-2-methylhexa-2,4-dienyl]oxan-4-ol?
The IUPAC name of 2-[(2E,4E)-5-chloro-2-methylhexa-2,4-dienyl]oxan-4-ol (CID 144945979) is 2-[(2E,4E)-5-chloro-2-methylhexa-2,4-dienyl]oxan-4-ol.
What is the SMILES notation for 2-[(2E,4E)-5-chloro-2-methylhexa-2,4-dienyl]oxan-4-ol?
The canonical SMILES for 2-[(2E,4E)-5-chloro-2-methylhexa-2,4-dienyl]oxan-4-ol is C/C(Cl)=C\C=C(/C)CC1CC(O)CCO1.
What is the InChIKey of 2-[(2E,4E)-5-chloro-2-methylhexa-2,4-dienyl]oxan-4-ol?
The InChIKey is TYEUTRRBGFAYSX-LQIBPGRFSA-N. The full InChI is InChI=1S/C12H19ClO2/c1-9(3-4-10(2)13)7-12-8-11(14)5-6-15-12/h3-4,11-12,14H,5-8H2,1-2H3/b9-3+,10-4+.
What are the key properties of 2-[(2E,4E)-5-chloro-2-methylhexa-2,4-dienyl]oxan-4-ol?
2-[(2E,4E)-5-chloro-2-methylhexa-2,4-dienyl]oxan-4-ol has a molecular weight of 230.73 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4E)-5-chloro-2-methylhexa-2,4-dienyl]oxan-4-ol is sourced from PubChem (CID 144945979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).