2-[[(4E,6E)-6-[(2E)-2-ethenylpenta-2,4-dienoxy]-3,8-dimethyldeca-4,6-dien-5-yl]oxymethyl]cyclohexa-1,3-diene

C26H38O2 — CID 144944474

IUPAC2-[[(4E,6E)-6-[(2E)-2-ethenylpenta-2,4-dienoxy]-3,8-dimethyldeca-4,6-dien-5-yl]oxymethyl]cyclohexa-1,3-diene
SMILESC=C/C=C(\C=C)COC(=C/C(C)CC)/C(=C\C(C)CC)OCC1=CCCC=C1
InChIInChI=1S/C26H38O2/c1-7-14-23(10-4)19-27-25(17-21(5)8-2)26(18-22(6)9-3)28-20-24-15-12-11-13-16-24/h7,10,12,14-18,21-22H,1,4,8-9,11,13,19-20H2,2-3,5-6H3/b23-14+,25-17+,26-18+
InChIKeyQSRFBCPAHFRXHN-NKBHVVHZSA-N
MW382.59 g/mol
LogP7.45
Rot. Bonds13

About 2-[[(4E,6E)-6-[(2E)-2-ethenylpenta-2,4-dienoxy]-3,8-dimethyldeca-4,6-dien-5-yl]oxymethyl]cyclohexa-1,3-diene

2-[[(4E,6E)-6-[(2E)-2-ethenylpenta-2,4-dienoxy]-3,8-dimethyldeca-4,6-dien-5-yl]oxymethyl]cyclohexa-1,3-diene (PubChem CID 144944474) has the molecular formula C26H38O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 2-[[(4E,6E)-6-[(2E)-2-ethenylpenta-2,4-dienoxy]-3,8-dimethyldeca-4,6-dien-5-yl]oxymethyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[[(4E,6E)-6-[(2E)-2-ethenylpenta-2,4-dienoxy]-3,8-dimethyldeca-4,6-dien-5-yl]oxymethyl]cyclohexa-1,3-diene
PubChem CID144944474
Molecular FormulaC26H38O2
Molecular Weight382.59 g/mol
Exact Mass382.29
IUPAC Name2-[[(4E,6E)-6-[(2E)-2-ethenylpenta-2,4-dienoxy]-3,8-dimethyldeca-4,6-dien-5-yl]oxymethyl]cyclohexa-1,3-diene
SMILESC=C/C=C(\C=C)COC(=C/C(C)CC)/C(=C\C(C)CC)OCC1=CCCC=C1
InChIInChI=1S/C26H38O2/c1-7-14-23(10-4)19-27-25(17-21(5)8-2)26(18-22(6)9-3)28-20-24-15-12-11-13-16-24/h7,10,12,14-18,21-22H,1,4,8-9,11,13,19-20H2,2-3,5-6H3/b23-14+,25-17+,26-18+
InChIKeyQSRFBCPAHFRXHN-NKBHVVHZSA-N
XLogP7.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 57.45
H-Bond Donors ≤ 50
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 2-[[(4E,6E)-6-[(2E)-2-ethenylpenta-2,4-dienoxy]-3,8-dimethyldeca-4,6-dien-5-yl]oxymethyl]cyclohexa-1,3-diene?
The IUPAC name of 2-[[(4E,6E)-6-[(2E)-2-ethenylpenta-2,4-dienoxy]-3,8-dimethyldeca-4,6-dien-5-yl]oxymethyl]cyclohexa-1,3-diene (CID 144944474) is 2-[[(4E,6E)-6-[(2E)-2-ethenylpenta-2,4-dienoxy]-3,8-dimethyldeca-4,6-dien-5-yl]oxymethyl]cyclohexa-1,3-diene.
What is the SMILES notation for 2-[[(4E,6E)-6-[(2E)-2-ethenylpenta-2,4-dienoxy]-3,8-dimethyldeca-4,6-dien-5-yl]oxymethyl]cyclohexa-1,3-diene?
The canonical SMILES for 2-[[(4E,6E)-6-[(2E)-2-ethenylpenta-2,4-dienoxy]-3,8-dimethyldeca-4,6-dien-5-yl]oxymethyl]cyclohexa-1,3-diene is C=C/C=C(\C=C)COC(=C/C(C)CC)/C(=C\C(C)CC)OCC1=CCCC=C1.
What is the InChIKey of 2-[[(4E,6E)-6-[(2E)-2-ethenylpenta-2,4-dienoxy]-3,8-dimethyldeca-4,6-dien-5-yl]oxymethyl]cyclohexa-1,3-diene?
The InChIKey is QSRFBCPAHFRXHN-NKBHVVHZSA-N. The full InChI is InChI=1S/C26H38O2/c1-7-14-23(10-4)19-27-25(17-21(5)8-2)26(18-22(6)9-3)28-20-24-15-12-11-13-16-24/h7,10,12,14-18,21-22H,1,4,8-9,11,13,19-20H2,2-3,5-6H3/b23-14+,25-17+,26-18+.
What are the key properties of 2-[[(4E,6E)-6-[(2E)-2-ethenylpenta-2,4-dienoxy]-3,8-dimethyldeca-4,6-dien-5-yl]oxymethyl]cyclohexa-1,3-diene?
2-[[(4E,6E)-6-[(2E)-2-ethenylpenta-2,4-dienoxy]-3,8-dimethyldeca-4,6-dien-5-yl]oxymethyl]cyclohexa-1,3-diene has a molecular weight of 382.59 g/mol, XLogP of 7.45, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4E,6E)-6-[(2E)-2-ethenylpenta-2,4-dienoxy]-3,8-dimethyldeca-4,6-dien-5-yl]oxymethyl]cyclohexa-1,3-diene is sourced from PubChem (CID 144944474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).