7,9,9-trimethyl-1,2,3,4,4a,9a-hexahydrofluorene

C16H22 — CID 58037136

IUPAC7,9,9-trimethyl-1,2,3,4,4a,9a-hexahydrofluorene
SMILESCc1ccc2c(c1)C(C)(C)C1CCCCC21
InChIInChI=1S/C16H22/c1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11/h8-10,12,14H,4-7H2,1-3H3
InChIKeyVAMIUXIPBIQPKN-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.56
Rot. Bonds

About 7,9,9-trimethyl-1,2,3,4,4a,9a-hexahydrofluorene

7,9,9-trimethyl-1,2,3,4,4a,9a-hexahydrofluorene (PubChem CID 58037136) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 7,9,9-trimethyl-1,2,3,4,4a,9a-hexahydrofluorene.

Molecular Properties

Compound Name7,9,9-trimethyl-1,2,3,4,4a,9a-hexahydrofluorene
PubChem CID58037136
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name7,9,9-trimethyl-1,2,3,4,4a,9a-hexahydrofluorene
SMILESCc1ccc2c(c1)C(C)(C)C1CCCCC21
InChIInChI=1S/C16H22/c1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11/h8-10,12,14H,4-7H2,1-3H3
InChIKeyVAMIUXIPBIQPKN-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7,9,9-trimethyl-1,2,3,4,4a,9a-hexahydrofluorene?
The IUPAC name of 7,9,9-trimethyl-1,2,3,4,4a,9a-hexahydrofluorene (CID 58037136) is 7,9,9-trimethyl-1,2,3,4,4a,9a-hexahydrofluorene.
What is the SMILES notation for 7,9,9-trimethyl-1,2,3,4,4a,9a-hexahydrofluorene?
The canonical SMILES for 7,9,9-trimethyl-1,2,3,4,4a,9a-hexahydrofluorene is Cc1ccc2c(c1)C(C)(C)C1CCCCC21.
What is the InChIKey of 7,9,9-trimethyl-1,2,3,4,4a,9a-hexahydrofluorene?
The InChIKey is VAMIUXIPBIQPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11/h8-10,12,14H,4-7H2,1-3H3.
What are the key properties of 7,9,9-trimethyl-1,2,3,4,4a,9a-hexahydrofluorene?
7,9,9-trimethyl-1,2,3,4,4a,9a-hexahydrofluorene has a molecular weight of 214.35 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9,9-trimethyl-1,2,3,4,4a,9a-hexahydrofluorene is sourced from PubChem (CID 58037136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).