2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene

C18H24 — CID 162270932

IUPAC2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESCC1=CC2CC3C=C(C(C)(C)C)C=CC3C2C=C1
InChIInChI=1S/C18H24/c1-12-5-7-16-13(9-12)10-14-11-15(18(2,3)4)6-8-17(14)16/h5-9,11,13-14,16-17H,10H2,1-4H3
InChIKeyWWPHXWXGVGHXIH-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.91
Rot. Bonds

About 2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene

2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene (PubChem CID 162270932) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene.

Molecular Properties

Compound Name2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
PubChem CID162270932
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESCC1=CC2CC3C=C(C(C)(C)C)C=CC3C2C=C1
InChIInChI=1S/C18H24/c1-12-5-7-16-13(9-12)10-14-11-15(18(2,3)4)6-8-17(14)16/h5-9,11,13-14,16-17H,10H2,1-4H3
InChIKeyWWPHXWXGVGHXIH-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The IUPAC name of 2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene (CID 162270932) is 2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene.
What is the SMILES notation for 2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The canonical SMILES for 2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene is CC1=CC2CC3C=C(C(C)(C)C)C=CC3C2C=C1.
What is the InChIKey of 2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The InChIKey is WWPHXWXGVGHXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-12-5-7-16-13(9-12)10-14-11-15(18(2,3)4)6-8-17(14)16/h5-9,11,13-14,16-17H,10H2,1-4H3.
What are the key properties of 2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene has a molecular weight of 240.39 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene is sourced from PubChem (CID 162270932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).