4,4,4a,6-tetramethyl-3,7,8,9-tetrahydro-2H-benzo[7]annulene

C15H24 — CID 578397

IUPAC4,4,4a,6-tetramethyl-3,7,8,9-tetrahydro-2H-benzo[7]annulene
SMILESCC1=CC2(C)C(=CCCC2(C)C)CCC1
InChIInChI=1S/C15H24/c1-12-7-5-8-13-9-6-10-14(2,3)15(13,4)11-12/h9,11H,5-8,10H2,1-4H3
InChIKeyJXCJSXLIPJMTDX-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.87
Rot. Bonds

About 4,4,4a,6-tetramethyl-3,7,8,9-tetrahydro-2H-benzo[7]annulene

4,4,4a,6-tetramethyl-3,7,8,9-tetrahydro-2H-benzo[7]annulene (PubChem CID 578397) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 4,4,4a,6-tetramethyl-3,7,8,9-tetrahydro-2H-benzo[7]annulene.

Molecular Properties

Compound Name4,4,4a,6-tetramethyl-3,7,8,9-tetrahydro-2H-benzo[7]annulene
PubChem CID578397
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name4,4,4a,6-tetramethyl-3,7,8,9-tetrahydro-2H-benzo[7]annulene
SMILESCC1=CC2(C)C(=CCCC2(C)C)CCC1
InChIInChI=1S/C15H24/c1-12-7-5-8-13-9-6-10-14(2,3)15(13,4)11-12/h9,11H,5-8,10H2,1-4H3
InChIKeyJXCJSXLIPJMTDX-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dimethylcyclohex-2-en-1-yl)-1,3-dimethylcyclohexene
CID 10751327
(4Z)-1,5-dimethylcyclooct-4-en-1-ol
CID 14267333
7-methylspiro[2.5]oct-7-ene
CID 86647583
1,3-dimethylcyclohex-2-ene-1-carbonitrile
CID 13202021
1-(1,3-dimethylcyclohex-2-en-1-yl)-4-methylbenzene
CID 11637023
(1Z)-3-fluoro-1,3-dimethylcyclooctene
CID 156533263
2,2,7-trimethylspiro[2.5]oct-7-ene-1-carbonyl chloride
CID 57318930
N,N-dimethylmethanamine;5-methylbicyclo[3.1.0]hex-1(6)-ene
CID 175485218
(1S)-1-ethenyl-3-methylcyclohex-2-en-1-ol
CID 94037696
4,8,8-trimethylcyclooct-3-en-1-one
CID 130029002
(1Z,6E)-1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene
CID 14038477
1-(cyclohexen-1-yl)-4,4-dimethylcyclohexan-1-ol
CID 106651138

Frequently Asked Questions

What is the IUPAC name of 4,4,4a,6-tetramethyl-3,7,8,9-tetrahydro-2H-benzo[7]annulene?
The IUPAC name of 4,4,4a,6-tetramethyl-3,7,8,9-tetrahydro-2H-benzo[7]annulene (CID 578397) is 4,4,4a,6-tetramethyl-3,7,8,9-tetrahydro-2H-benzo[7]annulene.
What is the SMILES notation for 4,4,4a,6-tetramethyl-3,7,8,9-tetrahydro-2H-benzo[7]annulene?
The canonical SMILES for 4,4,4a,6-tetramethyl-3,7,8,9-tetrahydro-2H-benzo[7]annulene is CC1=CC2(C)C(=CCCC2(C)C)CCC1.
What is the InChIKey of 4,4,4a,6-tetramethyl-3,7,8,9-tetrahydro-2H-benzo[7]annulene?
The InChIKey is JXCJSXLIPJMTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-12-7-5-8-13-9-6-10-14(2,3)15(13,4)11-12/h9,11H,5-8,10H2,1-4H3.
What are the key properties of 4,4,4a,6-tetramethyl-3,7,8,9-tetrahydro-2H-benzo[7]annulene?
4,4,4a,6-tetramethyl-3,7,8,9-tetrahydro-2H-benzo[7]annulene has a molecular weight of 204.36 g/mol, XLogP of 4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4a,6-tetramethyl-3,7,8,9-tetrahydro-2H-benzo[7]annulene is sourced from PubChem (CID 578397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).