9-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene

C17H30 — CID 59963526

IUPAC9-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
SMILESCCCCC1C2CCCCC2C2CCCCC12
InChIInChI=1S/C17H30/c1-2-3-8-13-14-9-4-6-11-16(14)17-12-7-5-10-15(13)17/h13-17H,2-12H2,1H3
InChIKeyRBDSSAFEDDNWJG-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.42
Rot. Bonds3

About 9-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene

9-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene (PubChem CID 59963526) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 9-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene.

Molecular Properties

Compound Name9-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
PubChem CID59963526
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name9-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
SMILESCCCCC1C2CCCCC2C2CCCCC12
InChIInChI=1S/C17H30/c1-2-3-8-13-14-9-4-6-11-16(14)17-12-7-5-10-15(13)17/h13-17H,2-12H2,1H3
InChIKeyRBDSSAFEDDNWJG-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene with MolForge

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Related Compounds

acetylene;1-butyl-2-(2-methylcyclopentyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methanamine;prop-1-yne
CID 144586969
9-propyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene
CID 12574118
9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 172560711
2-decylbicyclo[1.1.0]butane
CID 123632675
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
butylcyclohexane;N-methylmethanamine
CID 174941558
CID 171376493
CID 171376493
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992
1-butyl-4-propylcyclononane
CID 123467552
(1S)-1-butyl-2-methylcyclohexane
CID 145054487
2-butyl-1-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 70637827
2-butyl-3-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-amine
CID 163133104

Frequently Asked Questions

What is the IUPAC name of 9-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The IUPAC name of 9-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene (CID 59963526) is 9-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene.
What is the SMILES notation for 9-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The canonical SMILES for 9-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene is CCCCC1C2CCCCC2C2CCCCC12.
What is the InChIKey of 9-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The InChIKey is RBDSSAFEDDNWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-2-3-8-13-14-9-4-6-11-16(14)17-12-7-5-10-15(13)17/h13-17H,2-12H2,1H3.
What are the key properties of 9-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
9-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene has a molecular weight of 234.43 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene is sourced from PubChem (CID 59963526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).