methane;1'-methylspiro[cyclopentane-1,9'-fluorene]

C21H30 — CID 144945934

IUPACmethane;1'-methylspiro[cyclopentane-1,9'-fluorene]
SMILESC.C.C.Cc1cccc2c1C1(CCCC1)c1ccccc1-2
InChIInChI=1S/C18H18.3CH4/c1-13-7-6-9-15-14-8-2-3-10-16(14)18(17(13)15)11-4-5-12-18;;;/h2-3,6-10H,4-5,11-12H2,1H3;3*1H4
InChIKeyRBWOPLRUQGEYDY-UHFFFAOYSA-N
MW282.47 g/mol
LogP6.74
Rot. Bonds

About methane;1'-methylspiro[cyclopentane-1,9'-fluorene]

methane;1'-methylspiro[cyclopentane-1,9'-fluorene] (PubChem CID 144945934) has the molecular formula C21H30 and a molecular weight of 282.47 g/mol. Its IUPAC name is methane;1'-methylspiro[cyclopentane-1,9'-fluorene].

Molecular Properties

Compound Namemethane;1'-methylspiro[cyclopentane-1,9'-fluorene]
PubChem CID144945934
Molecular FormulaC21H30
Molecular Weight282.47 g/mol
Exact Mass282.23
IUPAC Namemethane;1'-methylspiro[cyclopentane-1,9'-fluorene]
SMILESC.C.C.Cc1cccc2c1C1(CCCC1)c1ccccc1-2
InChIInChI=1S/C18H18.3CH4/c1-13-7-6-9-15-14-8-2-3-10-16(14)18(17(13)15)11-4-5-12-18;;;/h2-3,6-10H,4-5,11-12H2,1H3;3*1H4
InChIKeyRBWOPLRUQGEYDY-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1'-iodospiro[cyclohexane-1,9'-fluorene]
CID 142567554
spiro[cyclopentane-1,9'-fluorene]-1'-carbonitrile
CID 23151763
spiro[benzo[a]fluorene-11,1'-cyclononane]
CID 143254805
4'-chloro-3'-methylspiro[cyclohexane-1,5'-indeno[1,2-b]pyridine]
CID 164528258
2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine
CID 121342984
2,4-diphenyl-6-(2-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine
CID 160857119
N-methylmethanamine;1-methyl-2-[1-(2-methylphenyl)cyclohexyl]benzene
CID 70442596
3'-(4-methylphenyl)spiro[cyclopentane-1,9'-fluorene]
CID 58389877
4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine
CID 121342967
9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclopentane-1,9'-fluorene]
CID 159194629
spiro[benzo[b]fluorene-11,1'-cyclopentane]
CID 59806759
1,9-dimethylfluorene-9-carbaldehyde
CID 173198715

Frequently Asked Questions

What is the IUPAC name of methane;1'-methylspiro[cyclopentane-1,9'-fluorene]?
The IUPAC name of methane;1'-methylspiro[cyclopentane-1,9'-fluorene] (CID 144945934) is methane;1'-methylspiro[cyclopentane-1,9'-fluorene].
What is the SMILES notation for methane;1'-methylspiro[cyclopentane-1,9'-fluorene]?
The canonical SMILES for methane;1'-methylspiro[cyclopentane-1,9'-fluorene] is C.C.C.Cc1cccc2c1C1(CCCC1)c1ccccc1-2.
What is the InChIKey of methane;1'-methylspiro[cyclopentane-1,9'-fluorene]?
The InChIKey is RBWOPLRUQGEYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18.3CH4/c1-13-7-6-9-15-14-8-2-3-10-16(14)18(17(13)15)11-4-5-12-18;;;/h2-3,6-10H,4-5,11-12H2,1H3;3*1H4.
What are the key properties of methane;1'-methylspiro[cyclopentane-1,9'-fluorene]?
methane;1'-methylspiro[cyclopentane-1,9'-fluorene] has a molecular weight of 282.47 g/mol, XLogP of 6.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1'-methylspiro[cyclopentane-1,9'-fluorene] is sourced from PubChem (CID 144945934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).