1,3-dimethyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene

C15H24 — CID 91602787

IUPAC1,3-dimethyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene
SMILESCC1CC(C)C2CCCCCC=CC=C12
InChIInChI=1S/C15H24/c1-12-11-13(2)15-10-8-6-4-3-5-7-9-14(12)15/h5,7,9,12-13,15H,3-4,6,8,10-11H2,1-2H3
InChIKeyNQQYDNBUFKSAGY-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds

About 1,3-dimethyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene

1,3-dimethyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene (PubChem CID 91602787) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1,3-dimethyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene.

Molecular Properties

Compound Name1,3-dimethyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene
PubChem CID91602787
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1,3-dimethyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene
SMILESCC1CC(C)C2CCCCCC=CC=C12
InChIInChI=1S/C15H24/c1-12-11-13(2)15-10-8-6-4-3-5-7-9-14(12)15/h5,7,9,12-13,15H,3-4,6,8,10-11H2,1-2H3
InChIKeyNQQYDNBUFKSAGY-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene?
The IUPAC name of 1,3-dimethyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene (CID 91602787) is 1,3-dimethyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene.
What is the SMILES notation for 1,3-dimethyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene?
The canonical SMILES for 1,3-dimethyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene is CC1CC(C)C2CCCCCC=CC=C12.
What is the InChIKey of 1,3-dimethyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene?
The InChIKey is NQQYDNBUFKSAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-12-11-13(2)15-10-8-6-4-3-5-7-9-14(12)15/h5,7,9,12-13,15H,3-4,6,8,10-11H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene?
1,3-dimethyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene has a molecular weight of 204.36 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene is sourced from PubChem (CID 91602787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).