2-methyl-7-(2-methylhept-1-enyl)-9,9-dioctylfluorene

C38H58 — CID 59136630

IUPAC2-methyl-7-(2-methylhept-1-enyl)-9,9-dioctylfluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C=C(C)CCCCC)cc21
InChIInChI=1S/C38H58/c1-6-9-12-14-16-19-26-38(27-20-17-15-13-10-7-2)36-29-32(5)22-24-34(36)35-25-23-33(30-37(35)38)28-31(4)21-18-11-8-3/h22-25,28-30H,6-21,26-27H2,1-5H3
InChIKeyULVJMWBXOPDTCZ-UHFFFAOYSA-N
MW514.88 g/mol
LogP12.75
Rot. Bonds19

About 2-methyl-7-(2-methylhept-1-enyl)-9,9-dioctylfluorene

2-methyl-7-(2-methylhept-1-enyl)-9,9-dioctylfluorene (PubChem CID 59136630) has the molecular formula C38H58 and a molecular weight of 514.88 g/mol. Its IUPAC name is 2-methyl-7-(2-methylhept-1-enyl)-9,9-dioctylfluorene.

Molecular Properties

Compound Name2-methyl-7-(2-methylhept-1-enyl)-9,9-dioctylfluorene
PubChem CID59136630
Molecular FormulaC38H58
Molecular Weight514.88 g/mol
Exact Mass514.45
IUPAC Name2-methyl-7-(2-methylhept-1-enyl)-9,9-dioctylfluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C=C(C)CCCCC)cc21
InChIInChI=1S/C38H58/c1-6-9-12-14-16-19-26-38(27-20-17-15-13-10-7-2)36-29-32(5)22-24-34(36)35-25-23-33(30-37(35)38)28-31(4)21-18-11-8-3/h22-25,28-30H,6-21,26-27H2,1-5H3
InChIKeyULVJMWBXOPDTCZ-UHFFFAOYSA-N
XLogP12.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.88
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-9,9-dioctyl-7-[(E)-prop-1-enyl]fluorene
CID 59348469
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
9,9-dibutyl-2,7-bis[(E)-2-(4-methylphenyl)ethenyl]fluorene
CID 122221081
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
CID 173488082
CID 173488082
9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene
CID 59687234
tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane
CID 158683961
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene
CID 148971086
9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium
CID 58594781
2-ethenyl-9,9-dihexylfluorene
CID 86189845
7-[7-(7-formyl-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene-2-carbaldehyde
CID 23624923

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(2-methylhept-1-enyl)-9,9-dioctylfluorene?
The IUPAC name of 2-methyl-7-(2-methylhept-1-enyl)-9,9-dioctylfluorene (CID 59136630) is 2-methyl-7-(2-methylhept-1-enyl)-9,9-dioctylfluorene.
What is the SMILES notation for 2-methyl-7-(2-methylhept-1-enyl)-9,9-dioctylfluorene?
The canonical SMILES for 2-methyl-7-(2-methylhept-1-enyl)-9,9-dioctylfluorene is CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C=C(C)CCCCC)cc21.
What is the InChIKey of 2-methyl-7-(2-methylhept-1-enyl)-9,9-dioctylfluorene?
The InChIKey is ULVJMWBXOPDTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H58/c1-6-9-12-14-16-19-26-38(27-20-17-15-13-10-7-2)36-29-32(5)22-24-34(36)35-25-23-33(30-37(35)38)28-31(4)21-18-11-8-3/h22-25,28-30H,6-21,26-27H2,1-5H3.
What are the key properties of 2-methyl-7-(2-methylhept-1-enyl)-9,9-dioctylfluorene?
2-methyl-7-(2-methylhept-1-enyl)-9,9-dioctylfluorene has a molecular weight of 514.88 g/mol, XLogP of 12.75, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(2-methylhept-1-enyl)-9,9-dioctylfluorene is sourced from PubChem (CID 59136630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).