(Z)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-ethynyl-2-methyldec-4-ene

C23H38O — CID 24775864

IUPAC(Z)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-ethynyl-2-methyldec-4-ene
SMILESC#C/C(=C\C(OC/C=C(\C)CCC=C(C)C)C(C)C)CCCCC
InChIInChI=1S/C23H38O/c1-8-10-11-15-22(9-2)18-23(20(5)6)24-17-16-21(7)14-12-13-19(3)4/h2,13,16,18,20,23H,8,10-12,14-15,17H2,1,3-7H3/b21-16+,22-18+
InChIKeyKSDDHXXJBGRLKZ-HFXUAKQVSA-N
MW330.56 g/mol
LogP6.86
Rot. Bonds12

About (Z)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-ethynyl-2-methyldec-4-ene

(Z)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-ethynyl-2-methyldec-4-ene (PubChem CID 24775864) has the molecular formula C23H38O and a molecular weight of 330.56 g/mol. Its IUPAC name is (Z)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-ethynyl-2-methyldec-4-ene.

Molecular Properties

Compound Name(Z)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-ethynyl-2-methyldec-4-ene
PubChem CID24775864
Molecular FormulaC23H38O
Molecular Weight330.56 g/mol
Exact Mass330.29
IUPAC Name(Z)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-ethynyl-2-methyldec-4-ene
SMILESC#C/C(=C\C(OC/C=C(\C)CCC=C(C)C)C(C)C)CCCCC
InChIInChI=1S/C23H38O/c1-8-10-11-15-22(9-2)18-23(20(5)6)24-17-16-21(7)14-12-13-19(3)4/h2,13,16,18,20,23H,8,10-12,14-15,17H2,1,3-7H3/b21-16+,22-18+
InChIKeyKSDDHXXJBGRLKZ-HFXUAKQVSA-N
XLogP6.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-ethynyl-2-methyldec-4-ene with MolForge

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Related Compounds

1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene
CID 140578450
(2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene
CID 6437124
O-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hexanethioate
CID 146803287
[(2Z)-3,7-dimethylocta-2,6-dienyl] hexanoate
CID 12571389
1-(3,7-dimethylocta-2,6-dienoxy)hexadecane
CID 72752481
3,7-dimethylocta-2,6-dienyl pentadecanoate
CID 173120607
[(2E)-3,7-dimethylocta-2,6-dienyl] dodecanoate
CID 6114709
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] decanoate
CID 56935986
2,6-dimethyltetradeca-2,6-diene
CID 57189781
(2E)-1-[(E)-hept-1-enoxy]-3,7-dimethylocta-2,6-diene
CID 21082896
(2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene
CID 102264216
(6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene
CID 176571098

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-ethynyl-2-methyldec-4-ene?
The IUPAC name of (Z)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-ethynyl-2-methyldec-4-ene (CID 24775864) is (Z)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-ethynyl-2-methyldec-4-ene.
What is the SMILES notation for (Z)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-ethynyl-2-methyldec-4-ene?
The canonical SMILES for (Z)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-ethynyl-2-methyldec-4-ene is C#C/C(=C\C(OC/C=C(\C)CCC=C(C)C)C(C)C)CCCCC.
What is the InChIKey of (Z)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-ethynyl-2-methyldec-4-ene?
The InChIKey is KSDDHXXJBGRLKZ-HFXUAKQVSA-N. The full InChI is InChI=1S/C23H38O/c1-8-10-11-15-22(9-2)18-23(20(5)6)24-17-16-21(7)14-12-13-19(3)4/h2,13,16,18,20,23H,8,10-12,14-15,17H2,1,3-7H3/b21-16+,22-18+.
What are the key properties of (Z)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-ethynyl-2-methyldec-4-ene?
(Z)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-ethynyl-2-methyldec-4-ene has a molecular weight of 330.56 g/mol, XLogP of 6.86, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-ethynyl-2-methyldec-4-ene is sourced from PubChem (CID 24775864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).