(4Z,6Z)-6-butan-2-yl-3-methoxynona-1,2,4,6-tetraene

C14H22O — CID 89098817

IUPAC(4Z,6Z)-6-butan-2-yl-3-methoxynona-1,2,4,6-tetraene
SMILESC=C=C(/C=C\C(=C/CC)C(C)CC)OC
InChIInChI=1S/C14H22O/c1-6-9-13(12(4)7-2)10-11-14(8-3)15-5/h9-12H,3,6-7H2,1-2,4-5H3/b11-10-,13-9+
InChIKeyUKVAONRXQYLGHD-HBUXTHHFSA-N
MW206.33 g/mol
LogP4.24
Rot. Bonds6

About (4Z,6Z)-6-butan-2-yl-3-methoxynona-1,2,4,6-tetraene

(4Z,6Z)-6-butan-2-yl-3-methoxynona-1,2,4,6-tetraene (PubChem CID 89098817) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (4Z,6Z)-6-butan-2-yl-3-methoxynona-1,2,4,6-tetraene.

Molecular Properties

Compound Name(4Z,6Z)-6-butan-2-yl-3-methoxynona-1,2,4,6-tetraene
PubChem CID89098817
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(4Z,6Z)-6-butan-2-yl-3-methoxynona-1,2,4,6-tetraene
SMILESC=C=C(/C=C\C(=C/CC)C(C)CC)OC
InChIInChI=1S/C14H22O/c1-6-9-13(12(4)7-2)10-11-14(8-3)15-5/h9-12H,3,6-7H2,1-2,4-5H3/b11-10-,13-9+
InChIKeyUKVAONRXQYLGHD-HBUXTHHFSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (4Z,6Z)-6-butan-2-yl-3-methoxynona-1,2,4,6-tetraene?
The IUPAC name of (4Z,6Z)-6-butan-2-yl-3-methoxynona-1,2,4,6-tetraene (CID 89098817) is (4Z,6Z)-6-butan-2-yl-3-methoxynona-1,2,4,6-tetraene.
What is the SMILES notation for (4Z,6Z)-6-butan-2-yl-3-methoxynona-1,2,4,6-tetraene?
The canonical SMILES for (4Z,6Z)-6-butan-2-yl-3-methoxynona-1,2,4,6-tetraene is C=C=C(/C=C\C(=C/CC)C(C)CC)OC.
What is the InChIKey of (4Z,6Z)-6-butan-2-yl-3-methoxynona-1,2,4,6-tetraene?
The InChIKey is UKVAONRXQYLGHD-HBUXTHHFSA-N. The full InChI is InChI=1S/C14H22O/c1-6-9-13(12(4)7-2)10-11-14(8-3)15-5/h9-12H,3,6-7H2,1-2,4-5H3/b11-10-,13-9+.
What are the key properties of (4Z,6Z)-6-butan-2-yl-3-methoxynona-1,2,4,6-tetraene?
(4Z,6Z)-6-butan-2-yl-3-methoxynona-1,2,4,6-tetraene has a molecular weight of 206.33 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-6-butan-2-yl-3-methoxynona-1,2,4,6-tetraene is sourced from PubChem (CID 89098817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).