4b,8,8,9a-tetramethyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8a,9-decahydrofluorene

C20H36 — CID 166035433

IUPAC4b,8,8,9a-tetramethyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8a,9-decahydrofluorene
SMILESCC(C)C1CCC2C(C)(C1)CC1C(C)(C)CCCC12C
InChIInChI=1S/C20H36/c1-14(2)15-8-9-16-19(5,12-15)13-17-18(3,4)10-7-11-20(16,17)6/h14-17H,7-13H2,1-6H3
InChIKeyRVCNYJDZRHTOAQ-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.30
Rot. Bonds1

About 4b,8,8,9a-tetramethyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8a,9-decahydrofluorene

4b,8,8,9a-tetramethyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8a,9-decahydrofluorene (PubChem CID 166035433) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 4b,8,8,9a-tetramethyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8a,9-decahydrofluorene.

Molecular Properties

Compound Name4b,8,8,9a-tetramethyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8a,9-decahydrofluorene
PubChem CID166035433
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name4b,8,8,9a-tetramethyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8a,9-decahydrofluorene
SMILESCC(C)C1CCC2C(C)(C1)CC1C(C)(C)CCCC12C
InChIInChI=1S/C20H36/c1-14(2)15-8-9-16-19(5,12-15)13-17-18(3,4)10-7-11-20(16,17)6/h14-17H,7-13H2,1-6H3
InChIKeyRVCNYJDZRHTOAQ-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 162890936
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(4R,9R,10R,14S)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
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(3S,13bS)-3-[(2R)-heptan-2-yl]-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
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Frequently Asked Questions

What is the IUPAC name of 4b,8,8,9a-tetramethyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8a,9-decahydrofluorene?
The IUPAC name of 4b,8,8,9a-tetramethyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8a,9-decahydrofluorene (CID 166035433) is 4b,8,8,9a-tetramethyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8a,9-decahydrofluorene.
What is the SMILES notation for 4b,8,8,9a-tetramethyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8a,9-decahydrofluorene?
The canonical SMILES for 4b,8,8,9a-tetramethyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8a,9-decahydrofluorene is CC(C)C1CCC2C(C)(C1)CC1C(C)(C)CCCC12C.
What is the InChIKey of 4b,8,8,9a-tetramethyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8a,9-decahydrofluorene?
The InChIKey is RVCNYJDZRHTOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-14(2)15-8-9-16-19(5,12-15)13-17-18(3,4)10-7-11-20(16,17)6/h14-17H,7-13H2,1-6H3.
What are the key properties of 4b,8,8,9a-tetramethyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8a,9-decahydrofluorene?
4b,8,8,9a-tetramethyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8a,9-decahydrofluorene has a molecular weight of 276.51 g/mol, XLogP of 6.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,8,8,9a-tetramethyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8a,9-decahydrofluorene is sourced from PubChem (CID 166035433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).