2-(cyclopentylmethyl)-9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene

C20H26 — CID 140802082

IUPAC2-(cyclopentylmethyl)-9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESCC1C2C=CC=CC2C2C=CC(CC3CCCC3)=CC12
InChIInChI=1S/C20H26/c1-14-17-8-4-5-9-18(17)19-11-10-16(13-20(14)19)12-15-6-2-3-7-15/h4-5,8-11,13-15,17-20H,2-3,6-7,12H2,1H3
InChIKeyQVURPJUVGAHLKV-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.30
Rot. Bonds2

About 2-(cyclopentylmethyl)-9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene

2-(cyclopentylmethyl)-9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene (PubChem CID 140802082) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
PubChem CID140802082
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name2-(cyclopentylmethyl)-9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESCC1C2C=CC=CC2C2C=CC(CC3CCCC3)=CC12
InChIInChI=1S/C20H26/c1-14-17-8-4-5-9-18(17)19-11-10-16(13-20(14)19)12-15-6-2-3-7-15/h4-5,8-11,13-15,17-20H,2-3,6-7,12H2,1H3
InChIKeyQVURPJUVGAHLKV-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 18783453
4-(cyclohexylmethyl)-1,6-dimethyl-3,6-dihydro-2H-pyridine
CID 155107113
4-cyclohexyl-3-methylcyclohexa-1,5-dien-1-amine
CID 146492465
carbanide;bis(1-(cyclopentylmethyl)-3,5-dimethylbenzene);dichlorozirconium(2+)
CID 162285999
2-[4-[5-[(3-methylcyclohexyl)methyl]-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene
CID 170526531
3-tert-butyl-9-[(4-tert-butyl-2-methylcyclopentyl)methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 59153577
1,3,5-tris(cyclohexylmethyl)benzene
CID 157164571
2-[4-[5-[(3,3-dimethylcyclohexyl)methyl]-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene
CID 170526550
1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene
CID 59821631
(1S)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 140862858
1,2,3,4,4a,8a-hexahydronaphthalene;methanamine
CID 143180898
2,7-dibutyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 144816897

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The IUPAC name of 2-(cyclopentylmethyl)-9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene (CID 140802082) is 2-(cyclopentylmethyl)-9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene.
What is the SMILES notation for 2-(cyclopentylmethyl)-9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The canonical SMILES for 2-(cyclopentylmethyl)-9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene is CC1C2C=CC=CC2C2C=CC(CC3CCCC3)=CC12.
What is the InChIKey of 2-(cyclopentylmethyl)-9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The InChIKey is QVURPJUVGAHLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-14-17-8-4-5-9-18(17)19-11-10-16(13-20(14)19)12-15-6-2-3-7-15/h4-5,8-11,13-15,17-20H,2-3,6-7,12H2,1H3.
What are the key properties of 2-(cyclopentylmethyl)-9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
2-(cyclopentylmethyl)-9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene has a molecular weight of 266.43 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene is sourced from PubChem (CID 140802082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).