(1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene

C20H32 — CID 15939522

IUPAC(1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene
SMILESC=C1CC[C@H]2C/C=C(\C)CC/C=C(\C)CC[C@H]1C2(C)C
InChIInChI=1S/C20H32/c1-15-7-6-8-16(2)10-14-19-17(3)11-13-18(12-9-15)20(19,4)5/h8-9,18-19H,3,6-7,10-14H2,1-2,4-5H3/b15-9+,16-8+/t18-,19-/m1/s1
InChIKeyFDBOKUQSBGGGJO-TXLKRMSRSA-N
MW272.48 g/mol
LogP6.45
Rot. Bonds

About (1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene

(1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene (PubChem CID 15939522) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is (1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene.

Molecular Properties

Compound Name(1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene
PubChem CID15939522
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name(1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene
SMILESC=C1CC[C@H]2C/C=C(\C)CC/C=C(\C)CC[C@H]1C2(C)C
InChIInChI=1S/C20H32/c1-15-7-6-8-16(2)10-14-19-17(3)11-13-18(12-9-15)20(19,4)5/h8-9,18-19H,3,6-7,10-14H2,1-2,4-5H3/b15-9+,16-8+/t18-,19-/m1/s1
InChIKeyFDBOKUQSBGGGJO-TXLKRMSRSA-N
XLogP6.45
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 ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene with MolForge

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Related Compounds

(1S,3Z,7R)-4,11,11-trimethylbicyclo[5.3.1]undec-3-en-8-one
CID 10998207
(1R,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol
CID 91458889
4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol
CID 162893224
4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol
CID 162863170
dichloropalladium;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
CID 126843352
(1R,2R,6E,10R)-7,11,11-trimethyl-3-methylidenebicyclo[8.1.0]undec-6-en-2-ol
CID 14607006
(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
CID 5281522
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
(1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
CID 164666823
(1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 171904454
1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 75094485
(1E,5E,8R)-1,5-dimethyl-8-propan-2-ylcyclodeca-1,5-diene
CID 164665810

Frequently Asked Questions

What is the IUPAC name of (1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene?
The IUPAC name of (1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene (CID 15939522) is (1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene.
What is the SMILES notation for (1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene?
The canonical SMILES for (1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene is C=C1CC[C@H]2C/C=C(\C)CC/C=C(\C)CC[C@H]1C2(C)C.
What is the InChIKey of (1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene?
The InChIKey is FDBOKUQSBGGGJO-TXLKRMSRSA-N. The full InChI is InChI=1S/C20H32/c1-15-7-6-8-16(2)10-14-19-17(3)11-13-18(12-9-15)20(19,4)5/h8-9,18-19H,3,6-7,10-14H2,1-2,4-5H3/b15-9+,16-8+/t18-,19-/m1/s1.
What are the key properties of (1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene?
(1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene has a molecular weight of 272.48 g/mol, XLogP of 6.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene is sourced from PubChem (CID 15939522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).