9,9-bis(methoxymethyl)-2-(2-methylpropyl)fluorene

C21H26O2 — CID 141021386

IUPAC9,9-bis(methoxymethyl)-2-(2-methylpropyl)fluorene
SMILESCOCC1(COC)c2ccccc2-c2ccc(CC(C)C)cc21
InChIInChI=1S/C21H26O2/c1-15(2)11-16-9-10-18-17-7-5-6-8-19(17)21(13-22-3,14-23-4)20(18)12-16/h5-10,12,15H,11,13-14H2,1-4H3
InChIKeyPDAPAWRFCGSFPK-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.44
Rot. Bonds6

About 9,9-bis(methoxymethyl)-2-(2-methylpropyl)fluorene

9,9-bis(methoxymethyl)-2-(2-methylpropyl)fluorene (PubChem CID 141021386) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 9,9-bis(methoxymethyl)-2-(2-methylpropyl)fluorene.

Molecular Properties

Compound Name9,9-bis(methoxymethyl)-2-(2-methylpropyl)fluorene
PubChem CID141021386
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name9,9-bis(methoxymethyl)-2-(2-methylpropyl)fluorene
SMILESCOCC1(COC)c2ccccc2-c2ccc(CC(C)C)cc21
InChIInChI=1S/C21H26O2/c1-15(2)11-16-9-10-18-17-7-5-6-8-19(17)21(13-22-3,14-23-4)20(18)12-16/h5-10,12,15H,11,13-14H2,1-4H3
InChIKeyPDAPAWRFCGSFPK-UHFFFAOYSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9,9-diethyl-7-(2-methylpropyl)fluoren-2-yl]fluoranthene
CID 123517228
9-(methoxymethyl)-9-(pentoxymethyl)fluorene
CID 22140520
[9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate
CID 126613610
2,3-dimethoxy-1,1-bis(methoxymethyl)indene
CID 23103653
2-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-7-N-[4-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]phenyl]-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine
CID 135291087
10,10-bis(methoxymethyl)-9H-anthracene
CID 22140519
2-(diiodomethyl)-9,9-diethylfluorene
CID 142719764
9,9-diethylfluoren-2-ol
CID 163996675
CID 173482166
CID 173482166
2-[9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[7-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluorene
CID 21028071
9-(methoxymethyl)-9-methylfluorene-2-carboxylic acid
CID 91104459
2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 123621511

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(methoxymethyl)-2-(2-methylpropyl)fluorene?
The IUPAC name of 9,9-bis(methoxymethyl)-2-(2-methylpropyl)fluorene (CID 141021386) is 9,9-bis(methoxymethyl)-2-(2-methylpropyl)fluorene.
What is the SMILES notation for 9,9-bis(methoxymethyl)-2-(2-methylpropyl)fluorene?
The canonical SMILES for 9,9-bis(methoxymethyl)-2-(2-methylpropyl)fluorene is COCC1(COC)c2ccccc2-c2ccc(CC(C)C)cc21.
What is the InChIKey of 9,9-bis(methoxymethyl)-2-(2-methylpropyl)fluorene?
The InChIKey is PDAPAWRFCGSFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-15(2)11-16-9-10-18-17-7-5-6-8-19(17)21(13-22-3,14-23-4)20(18)12-16/h5-10,12,15H,11,13-14H2,1-4H3.
What are the key properties of 9,9-bis(methoxymethyl)-2-(2-methylpropyl)fluorene?
9,9-bis(methoxymethyl)-2-(2-methylpropyl)fluorene has a molecular weight of 310.44 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(methoxymethyl)-2-(2-methylpropyl)fluorene is sourced from PubChem (CID 141021386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).