2-methyl-3,4,4a,6,7,9-hexahydro-2H-fluorene

C14H18 — CID 123877268

IUPAC2-methyl-3,4,4a,6,7,9-hexahydro-2H-fluorene
SMILESCC1C=C2CC3=CCCC=C3C2CC1
InChIInChI=1S/C14H18/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14/h4-5,8,10,14H,2-3,6-7,9H2,1H3
InChIKeyMJUJUHCUMBSGKV-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.01
Rot. Bonds

About 2-methyl-3,4,4a,6,7,9-hexahydro-2H-fluorene

2-methyl-3,4,4a,6,7,9-hexahydro-2H-fluorene (PubChem CID 123877268) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-methyl-3,4,4a,6,7,9-hexahydro-2H-fluorene.

Molecular Properties

Compound Name2-methyl-3,4,4a,6,7,9-hexahydro-2H-fluorene
PubChem CID123877268
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name2-methyl-3,4,4a,6,7,9-hexahydro-2H-fluorene
SMILESCC1C=C2CC3=CCCC=C3C2CC1
InChIInChI=1S/C14H18/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14/h4-5,8,10,14H,2-3,6-7,9H2,1H3
InChIKeyMJUJUHCUMBSGKV-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,4a,6,7,9-hexahydro-2H-fluorene?
The IUPAC name of 2-methyl-3,4,4a,6,7,9-hexahydro-2H-fluorene (CID 123877268) is 2-methyl-3,4,4a,6,7,9-hexahydro-2H-fluorene.
What is the SMILES notation for 2-methyl-3,4,4a,6,7,9-hexahydro-2H-fluorene?
The canonical SMILES for 2-methyl-3,4,4a,6,7,9-hexahydro-2H-fluorene is CC1C=C2CC3=CCCC=C3C2CC1.
What is the InChIKey of 2-methyl-3,4,4a,6,7,9-hexahydro-2H-fluorene?
The InChIKey is MJUJUHCUMBSGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14/h4-5,8,10,14H,2-3,6-7,9H2,1H3.
What are the key properties of 2-methyl-3,4,4a,6,7,9-hexahydro-2H-fluorene?
2-methyl-3,4,4a,6,7,9-hexahydro-2H-fluorene has a molecular weight of 186.30 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,4a,6,7,9-hexahydro-2H-fluorene is sourced from PubChem (CID 123877268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).