9,9-bis(but-1-enyl)fluorene;methane;propane

C29H46 — CID 162270307

IUPAC9,9-bis(but-1-enyl)fluorene;methane;propane
SMILESC.C.CCC.CCC.CCC=CC1(C=CCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22.2C3H8.2CH4/c1-3-5-15-21(16-6-4-2)19-13-9-7-11-17(19)18-12-8-10-14-20(18)21;2*1-3-2;;/h5-16H,3-4H2,1-2H3;2*3H2,1-2H3;2*1H4
InChIKeyDMGGHWNCZYPKEY-UHFFFAOYSA-N
MW394.69 g/mol
LogP9.99
Rot. Bonds4

About 9,9-bis(but-1-enyl)fluorene;methane;propane

9,9-bis(but-1-enyl)fluorene;methane;propane (PubChem CID 162270307) has the molecular formula C29H46 and a molecular weight of 394.69 g/mol. Its IUPAC name is 9,9-bis(but-1-enyl)fluorene;methane;propane.

Molecular Properties

Compound Name9,9-bis(but-1-enyl)fluorene;methane;propane
PubChem CID162270307
Molecular FormulaC29H46
Molecular Weight394.69 g/mol
Exact Mass394.36
IUPAC Name9,9-bis(but-1-enyl)fluorene;methane;propane
SMILESC.C.CCC.CCC.CCC=CC1(C=CCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22.2C3H8.2CH4/c1-3-5-15-21(16-6-4-2)19-13-9-7-11-17(19)18-12-8-10-14-20(18)21;2*1-3-2;;/h5-16H,3-4H2,1-2H3;2*3H2,1-2H3;2*1H4
InChIKeyDMGGHWNCZYPKEY-UHFFFAOYSA-N
XLogP9.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.69
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-dimethyl-2,3-dimethylideneindene;(E)-pent-2-ene
CID 143620330
9,9-diphenylfluorene;propane
CID 158205050
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
propane;spiro[fluorene-9,3'-oxetane]
CID 144874508
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761
9-methyl-9-[2-(2-methylphenyl)phenyl]fluorene;propane
CID 142961405
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
9,9-bis(ethylsulfanyl)fluorene
CID 12616130
9-methyl-9-propylfluorene
CID 13283188
N,N-dimethylethanamine;9,9'-spirobi[fluorene]
CID 165010246
methane;9-methylfluoren-9-ol
CID 160708378
1-[(Z)-but-1-enyl]-4,4-dimethyl-3H-isoquinoline
CID 131999426

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(but-1-enyl)fluorene;methane;propane?
The IUPAC name of 9,9-bis(but-1-enyl)fluorene;methane;propane (CID 162270307) is 9,9-bis(but-1-enyl)fluorene;methane;propane.
What is the SMILES notation for 9,9-bis(but-1-enyl)fluorene;methane;propane?
The canonical SMILES for 9,9-bis(but-1-enyl)fluorene;methane;propane is C.C.CCC.CCC.CCC=CC1(C=CCC)c2ccccc2-c2ccccc21.
What is the InChIKey of 9,9-bis(but-1-enyl)fluorene;methane;propane?
The InChIKey is DMGGHWNCZYPKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22.2C3H8.2CH4/c1-3-5-15-21(16-6-4-2)19-13-9-7-11-17(19)18-12-8-10-14-20(18)21;2*1-3-2;;/h5-16H,3-4H2,1-2H3;2*3H2,1-2H3;2*1H4.
What are the key properties of 9,9-bis(but-1-enyl)fluorene;methane;propane?
9,9-bis(but-1-enyl)fluorene;methane;propane has a molecular weight of 394.69 g/mol, XLogP of 9.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(but-1-enyl)fluorene;methane;propane is sourced from PubChem (CID 162270307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).