(4E)-5,9-dimethyl-3-prop-2-enoxydeca-4,8-dien-1-yne

C15H22O — CID 10921983

IUPAC(4E)-5,9-dimethyl-3-prop-2-enoxydeca-4,8-dien-1-yne
SMILESC#CC(/C=C(\C)CCC=C(C)C)OCC=C
InChIInChI=1S/C15H22O/c1-6-11-16-15(7-2)12-14(5)10-8-9-13(3)4/h2,6,9,12,15H,1,8,10-11H2,3-5H3/b14-12+
InChIKeyHJUIWVPVGGKGFK-WYMLVPIESA-N
MW218.34 g/mol
LogP3.88
Rot. Bonds7

About (4E)-5,9-dimethyl-3-prop-2-enoxydeca-4,8-dien-1-yne

(4E)-5,9-dimethyl-3-prop-2-enoxydeca-4,8-dien-1-yne (PubChem CID 10921983) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (4E)-5,9-dimethyl-3-prop-2-enoxydeca-4,8-dien-1-yne.

Molecular Properties

Compound Name(4E)-5,9-dimethyl-3-prop-2-enoxydeca-4,8-dien-1-yne
PubChem CID10921983
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(4E)-5,9-dimethyl-3-prop-2-enoxydeca-4,8-dien-1-yne
SMILESC#CC(/C=C(\C)CCC=C(C)C)OCC=C
InChIInChI=1S/C15H22O/c1-6-11-16-15(7-2)12-14(5)10-8-9-13(3)4/h2,6,9,12,15H,1,8,10-11H2,3-5H3/b14-12+
InChIKeyHJUIWVPVGGKGFK-WYMLVPIESA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene
CID 12153891
(3R)-3,7-dimethyl-3-prop-2-ynoxyocta-1,6-diene
CID 44433587
2,6-Octadiene, 3,7-dimethyl-1-(2-propenyloxy)-
CID 5362835
1-Isopropoxy-2,7-octadiene
CID 11286698
(E,4S)-4-prop-2-ynoxypent-2-ene
CID 10942413
1-Allyloxy-3,7-dimethyl-octa-2,6-diene
CID 534973
(2E,5E)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene
CID 10954135
Geraniol isopropylether
CID 21350906
(2Z,5Z)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene
CID 59047496
Nerol isopropylether
CID 101572065
2-methyl-5-[(E)-2-methyl-4-prop-2-enoxybut-2-enoxy]hept-1-en-6-yne
CID 11368660
(3Z,7E)-3,7-dimethyl-1-oxacyclotrideca-3,7-dien-11-yne
CID 13821299

Frequently Asked Questions

What is the IUPAC name of (4E)-5,9-dimethyl-3-prop-2-enoxydeca-4,8-dien-1-yne?
The IUPAC name of (4E)-5,9-dimethyl-3-prop-2-enoxydeca-4,8-dien-1-yne (CID 10921983) is (4E)-5,9-dimethyl-3-prop-2-enoxydeca-4,8-dien-1-yne.
What is the SMILES notation for (4E)-5,9-dimethyl-3-prop-2-enoxydeca-4,8-dien-1-yne?
The canonical SMILES for (4E)-5,9-dimethyl-3-prop-2-enoxydeca-4,8-dien-1-yne is C#CC(/C=C(\C)CCC=C(C)C)OCC=C.
What is the InChIKey of (4E)-5,9-dimethyl-3-prop-2-enoxydeca-4,8-dien-1-yne?
The InChIKey is HJUIWVPVGGKGFK-WYMLVPIESA-N. The full InChI is InChI=1S/C15H22O/c1-6-11-16-15(7-2)12-14(5)10-8-9-13(3)4/h2,6,9,12,15H,1,8,10-11H2,3-5H3/b14-12+.
What are the key properties of (4E)-5,9-dimethyl-3-prop-2-enoxydeca-4,8-dien-1-yne?
(4E)-5,9-dimethyl-3-prop-2-enoxydeca-4,8-dien-1-yne has a molecular weight of 218.34 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5,9-dimethyl-3-prop-2-enoxydeca-4,8-dien-1-yne is sourced from PubChem (CID 10921983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).