4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),3,7-triene

C20H32 — CID 162855730

IUPAC4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),3,7-triene
SMILESCC1=CCC2=C(C)C(C)(CCC(C)=CCC1)C(C)CC2
InChIInChI=1S/C20H32/c1-15-7-6-8-16(2)13-14-20(5)17(3)10-12-19(11-9-15)18(20)4/h8-9,17H,6-7,10-14H2,1-5H3
InChIKeyOFPGTWLGIKEKRX-UHFFFAOYSA-N
MW272.48 g/mol
LogP6.60
Rot. Bonds

About 4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),3,7-triene

4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),3,7-triene (PubChem CID 162855730) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is 4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),3,7-triene.

Molecular Properties

Compound Name4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),3,7-triene
PubChem CID162855730
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),3,7-triene
SMILESCC1=CCC2=C(C)C(C)(CCC(C)=CCC1)C(C)CC2
InChIInChI=1S/C20H32/c1-15-7-6-8-16(2)13-14-20(5)17(3)10-12-19(11-9-15)18(20)4/h8-9,17H,6-7,10-14H2,1-5H3
InChIKeyOFPGTWLGIKEKRX-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.60
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

(4E,8E,11S,12R)-4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),4,8-triene
CID 11334785
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
(4S,5R,7R,10Z,14S,15R)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol
CID 42617188
CID 146163985
CID 146163985
(1R,8R,9R)-4,8,11,11-tetramethylbicyclo[7.2.0]undec-4-ene
CID 91099297
(1R,4Z,8Z,12S)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
CID 93481800
(4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
CID 139596542
(1Z,4Z,8Z)-5,9,12,12-tetramethylcyclododeca-1,4,8-triene
CID 140996280
(1Z,5Z)-1,6-dimethylcycloocta-1,5-diene
CID 5365761
(1R,3S,4S,7E,11S,18R)-3-methoxy-4,8,11,18-tetramethyl-2,14-dioxatricyclo[9.5.2.012,16]octadeca-7,12(16)-dien-15-one
CID 170990713
1,4-dimethylcyclooct-4-en-1-ol
CID 68739487
3a,6,10-trimethyl-1-propan-2-ylidene-3,7,8,11,12,12a-hexahydro-2H-cyclopenta[11]annulen-4-one
CID 85100807

Frequently Asked Questions

What is the IUPAC name of 4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),3,7-triene?
The IUPAC name of 4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),3,7-triene (CID 162855730) is 4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),3,7-triene.
What is the SMILES notation for 4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),3,7-triene?
The canonical SMILES for 4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),3,7-triene is CC1=CCC2=C(C)C(C)(CCC(C)=CCC1)C(C)CC2.
What is the InChIKey of 4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),3,7-triene?
The InChIKey is OFPGTWLGIKEKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32/c1-15-7-6-8-16(2)13-14-20(5)17(3)10-12-19(11-9-15)18(20)4/h8-9,17H,6-7,10-14H2,1-5H3.
What are the key properties of 4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),3,7-triene?
4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),3,7-triene has a molecular weight of 272.48 g/mol, XLogP of 6.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),3,7-triene is sourced from PubChem (CID 162855730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).