(3E,5E)-7-methoxy-8-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-ol

C14H20O2 — CID 126612681

IUPAC(3E,5E)-7-methoxy-8-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-ol
SMILESC=C/C=C(O)\C(=C\C(OC)=C(C)C)C(=C)C
InChIInChI=1S/C14H20O2/c1-7-8-13(15)12(10(2)3)9-14(16-6)11(4)5/h7-9,15H,1-2H2,3-6H3/b12-9+,13-8+
InChIKeyJPKRMQRHFNXIPS-GHEQENTPSA-N
MW220.31 g/mol
LogP4.06
Rot. Bonds5

About (3E,5E)-7-methoxy-8-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-ol

(3E,5E)-7-methoxy-8-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-ol (PubChem CID 126612681) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (3E,5E)-7-methoxy-8-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-ol.

Molecular Properties

Compound Name(3E,5E)-7-methoxy-8-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-ol
PubChem CID126612681
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(3E,5E)-7-methoxy-8-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-ol
SMILESC=C/C=C(O)\C(=C\C(OC)=C(C)C)C(=C)C
InChIInChI=1S/C14H20O2/c1-7-8-13(15)12(10(2)3)9-14(16-6)11(4)5/h7-9,15H,1-2H2,3-6H3/b12-9+,13-8+
InChIKeyJPKRMQRHFNXIPS-GHEQENTPSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3E,5E)-7-methoxy-8-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-ol?
The IUPAC name of (3E,5E)-7-methoxy-8-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-ol (CID 126612681) is (3E,5E)-7-methoxy-8-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-ol.
What is the SMILES notation for (3E,5E)-7-methoxy-8-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-ol?
The canonical SMILES for (3E,5E)-7-methoxy-8-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-ol is C=C/C=C(O)\C(=C\C(OC)=C(C)C)C(=C)C.
What is the InChIKey of (3E,5E)-7-methoxy-8-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-ol?
The InChIKey is JPKRMQRHFNXIPS-GHEQENTPSA-N. The full InChI is InChI=1S/C14H20O2/c1-7-8-13(15)12(10(2)3)9-14(16-6)11(4)5/h7-9,15H,1-2H2,3-6H3/b12-9+,13-8+.
What are the key properties of (3E,5E)-7-methoxy-8-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-ol?
(3E,5E)-7-methoxy-8-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-ol has a molecular weight of 220.31 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-7-methoxy-8-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-ol is sourced from PubChem (CID 126612681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).