2-[[3-[(7E)-pentadeca-7,9-dienyl]cyclohexyl]oxymethyl]oxirane

C24H42O2 — CID 153467711

IUPAC2-[[3-[(7E)-pentadeca-7,9-dienyl]cyclohexyl]oxymethyl]oxirane
SMILESCCCCCC=C/C=C/CCCCCCC1CCCC(OCC2CO2)C1
InChIInChI=1S/C24H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-22-17-15-18-23(19-22)25-20-24-21-26-24/h6-9,22-24H,2-5,10-21H2,1H3/b7-6?,9-8+
InChIKeyVBAGGTUUTDQPFW-ANYPYVPJSA-N
MW362.60 g/mol
LogP6.99
Rot. Bonds15

About 2-[[3-[(7E)-pentadeca-7,9-dienyl]cyclohexyl]oxymethyl]oxirane

2-[[3-[(7E)-pentadeca-7,9-dienyl]cyclohexyl]oxymethyl]oxirane (PubChem CID 153467711) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 2-[[3-[(7E)-pentadeca-7,9-dienyl]cyclohexyl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[3-[(7E)-pentadeca-7,9-dienyl]cyclohexyl]oxymethyl]oxirane
PubChem CID153467711
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name2-[[3-[(7E)-pentadeca-7,9-dienyl]cyclohexyl]oxymethyl]oxirane
SMILESCCCCCC=C/C=C/CCCCCCC1CCCC(OCC2CO2)C1
InChIInChI=1S/C24H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-22-17-15-18-23(19-22)25-20-24-21-26-24/h6-9,22-24H,2-5,10-21H2,1H3/b7-6?,9-8+
InChIKeyVBAGGTUUTDQPFW-ANYPYVPJSA-N
XLogP6.99
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,3R)-1-ethoxy-3-pentylcyclohexane
CID 101096763
2-(icosa-1,3,5-trienoxymethyl)oxirane
CID 175287179
2-nonadec-10-enyloxirane
CID 54194145
1,3-diheptylcyclohexane
CID 19973333
2-octadec-9-enyloxirane;phosphoric acid
CID 173288867
2-(oct-1-enoxymethyl)oxirane
CID 57286562
2-[[(E)-heptadec-1-enoxy]methyl]oxirane
CID 21225255
1,3-dipentylcyclohexane
CID 54105663
3-(oxiran-2-ylmethoxy)cyclohexan-1-ol
CID 118671193
2-(pentadec-2-enoxymethyl)oxirane
CID 175115833
2-(oxiran-2-ylmethoxymethyl)oxirane;3-pentadeca-1,3-dienylphenol
CID 175327312
3-heptylcyclohexan-1-ol
CID 64515801

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(7E)-pentadeca-7,9-dienyl]cyclohexyl]oxymethyl]oxirane?
The IUPAC name of 2-[[3-[(7E)-pentadeca-7,9-dienyl]cyclohexyl]oxymethyl]oxirane (CID 153467711) is 2-[[3-[(7E)-pentadeca-7,9-dienyl]cyclohexyl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[3-[(7E)-pentadeca-7,9-dienyl]cyclohexyl]oxymethyl]oxirane?
The canonical SMILES for 2-[[3-[(7E)-pentadeca-7,9-dienyl]cyclohexyl]oxymethyl]oxirane is CCCCCC=C/C=C/CCCCCCC1CCCC(OCC2CO2)C1.
What is the InChIKey of 2-[[3-[(7E)-pentadeca-7,9-dienyl]cyclohexyl]oxymethyl]oxirane?
The InChIKey is VBAGGTUUTDQPFW-ANYPYVPJSA-N. The full InChI is InChI=1S/C24H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-22-17-15-18-23(19-22)25-20-24-21-26-24/h6-9,22-24H,2-5,10-21H2,1H3/b7-6?,9-8+.
What are the key properties of 2-[[3-[(7E)-pentadeca-7,9-dienyl]cyclohexyl]oxymethyl]oxirane?
2-[[3-[(7E)-pentadeca-7,9-dienyl]cyclohexyl]oxymethyl]oxirane has a molecular weight of 362.60 g/mol, XLogP of 6.99, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(7E)-pentadeca-7,9-dienyl]cyclohexyl]oxymethyl]oxirane is sourced from PubChem (CID 153467711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).