9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]but-3-enyl]fluorene

C31H42O6 — CID 123808721

IUPAC9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]but-3-enyl]fluorene
SMILESC=CC(CC1(CC(C=C)OCCOCCOC)c2ccccc2-c2ccccc21)OCCOCCOC
InChIInChI=1S/C31H42O6/c1-5-25(36-21-19-34-17-15-32-3)23-31(24-26(6-2)37-22-20-35-18-16-33-4)29-13-9-7-11-27(29)28-12-8-10-14-30(28)31/h5-14,25-26H,1-2,15-24H2,3-4H3
InChIKeyHENNYDRZWUVACS-UHFFFAOYSA-N
MW510.67 g/mol
LogP5.20
Rot. Bonds20

About 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]but-3-enyl]fluorene

9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]but-3-enyl]fluorene (PubChem CID 123808721) has the molecular formula C31H42O6 and a molecular weight of 510.67 g/mol. Its IUPAC name is 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]but-3-enyl]fluorene.

Molecular Properties

Compound Name9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]but-3-enyl]fluorene
PubChem CID123808721
Molecular FormulaC31H42O6
Molecular Weight510.67 g/mol
Exact Mass510.30
IUPAC Name9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]but-3-enyl]fluorene
SMILESC=CC(CC1(CC(C=C)OCCOCCOC)c2ccccc2-c2ccccc21)OCCOCCOC
InChIInChI=1S/C31H42O6/c1-5-25(36-21-19-34-17-15-32-3)23-31(24-26(6-2)37-22-20-35-18-16-33-4)29-13-9-7-11-27(29)28-12-8-10-14-30(28)31/h5-14,25-26H,1-2,15-24H2,3-4H3
InChIKeyHENNYDRZWUVACS-UHFFFAOYSA-N
XLogP5.20
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.67
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9,9-Bis(3,6-dioxaheptyl)-fluorene
CID 17894347
9,9-Bis(2-(2-(2-methoxy ethoxy)ethoxy)ethyl)-fluorene
CID 67292775
2,2'-(9,9-Bis(2-(2-methoxyethoxy)ethyl)-9h-fluorene-2,7-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 70850351
9-[3-(2-Methoxyethoxy)propyl]-9-[1,1,2,2-tetrafluoro-3-(2-methoxyethoxy)propyl]fluorene
CID 126501882
9,9-Bis(2-(2-(2-ethoxyethoxy)ethoxy)ethyl)-fluorene
CID 129824406
(2'S)-2'-ethenylspiro[fluorene-9,4'-oxolane]
CID 134847958
2-(9,9-Bis(2-(2-(2-methoxyethoxy)ethoxy)ethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 139249373
2-Prop-2-enoxyspiro[cyclopropane-1,9'-fluorene]
CID 10800581
2-Ethoxyspiro[cyclopropane-1,9'-fluorene]
CID 10955554
Smgfqeurssfqsw-mrxnpfedsa-
CID 44631374
Sivsjpzegqiyst-qgzvfwflsa-
CID 44631401
9-(2-Ethylhexyl)-9-(3,6,9-trioxadecyl)-fluorene
CID 17894346

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]but-3-enyl]fluorene?
The IUPAC name of 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]but-3-enyl]fluorene (CID 123808721) is 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]but-3-enyl]fluorene.
What is the SMILES notation for 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]but-3-enyl]fluorene?
The canonical SMILES for 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]but-3-enyl]fluorene is C=CC(CC1(CC(C=C)OCCOCCOC)c2ccccc2-c2ccccc21)OCCOCCOC.
What is the InChIKey of 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]but-3-enyl]fluorene?
The InChIKey is HENNYDRZWUVACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42O6/c1-5-25(36-21-19-34-17-15-32-3)23-31(24-26(6-2)37-22-20-35-18-16-33-4)29-13-9-7-11-27(29)28-12-8-10-14-30(28)31/h5-14,25-26H,1-2,15-24H2,3-4H3.
What are the key properties of 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]but-3-enyl]fluorene?
9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]but-3-enyl]fluorene has a molecular weight of 510.67 g/mol, XLogP of 5.20, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]but-3-enyl]fluorene is sourced from PubChem (CID 123808721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).