(4E,8E)-4,8-dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(15),4,8,11,13-pentaen-12-ol

C16H20O2 — CID 5281558

IUPAC(4E,8E)-4,8-dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(15),4,8,11,13-pentaen-12-ol
SMILESC/C1=C\Cc2cc(ccc2O)OC/C(C)=C/CC1
InChIInChI=1S/C16H20O2/c1-12-4-3-5-13(2)11-18-15-8-9-16(17)14(10-15)7-6-12/h5-6,8-10,17H,3-4,7,11H2,1-2H3/b12-6+,13-5+
InChIKeyBSXTWYDVYNXVHH-YKNDAMCPSA-N
MW244.33 g/mol
LogP4.00
Rot. Bonds

About (4E,8E)-4,8-dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(15),4,8,11,13-pentaen-12-ol

(4E,8E)-4,8-dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(15),4,8,11,13-pentaen-12-ol (PubChem CID 5281558) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (4E,8E)-4,8-dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(15),4,8,11,13-pentaen-12-ol.

Molecular Properties

Compound Name(4E,8E)-4,8-dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(15),4,8,11,13-pentaen-12-ol
PubChem CID5281558
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(4E,8E)-4,8-dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(15),4,8,11,13-pentaen-12-ol
SMILESC/C1=C\Cc2cc(ccc2O)OC/C(C)=C/CC1
InChIInChI=1S/C16H20O2/c1-12-4-3-5-13(2)11-18-15-8-9-16(17)14(10-15)7-6-12/h5-6,8-10,17H,3-4,7,11H2,1-2H3/b12-6+,13-5+
InChIKeyBSXTWYDVYNXVHH-YKNDAMCPSA-N
XLogP4.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,8E)-4,8-dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(15),4,8,11,13-pentaen-12-ol?
The IUPAC name of (4E,8E)-4,8-dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(15),4,8,11,13-pentaen-12-ol (CID 5281558) is (4E,8E)-4,8-dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(15),4,8,11,13-pentaen-12-ol.
What is the SMILES notation for (4E,8E)-4,8-dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(15),4,8,11,13-pentaen-12-ol?
The canonical SMILES for (4E,8E)-4,8-dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(15),4,8,11,13-pentaen-12-ol is C/C1=C\Cc2cc(ccc2O)OC/C(C)=C/CC1.
What is the InChIKey of (4E,8E)-4,8-dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(15),4,8,11,13-pentaen-12-ol?
The InChIKey is BSXTWYDVYNXVHH-YKNDAMCPSA-N. The full InChI is InChI=1S/C16H20O2/c1-12-4-3-5-13(2)11-18-15-8-9-16(17)14(10-15)7-6-12/h5-6,8-10,17H,3-4,7,11H2,1-2H3/b12-6+,13-5+.
What are the key properties of (4E,8E)-4,8-dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(15),4,8,11,13-pentaen-12-ol?
(4E,8E)-4,8-dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(15),4,8,11,13-pentaen-12-ol has a molecular weight of 244.33 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-4,8-dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(15),4,8,11,13-pentaen-12-ol is sourced from PubChem (CID 5281558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).