1,2,3,4,4,5,6,7,8,8,9,9,10,10-tetradecamethylbicyclo[3.3.2]deca-2,6-diene

C24H42 — CID 58944228

IUPAC1,2,3,4,4,5,6,7,8,8,9,9,10,10-tetradecamethylbicyclo[3.3.2]deca-2,6-diene
SMILESCC1=C(C)C2(C)C(C)(C)C(C)=C(C)C(C)(C1(C)C)C(C)(C)C2(C)C
InChIInChI=1S/C24H42/c1-15-17(3)23(13)20(7,8)16(2)18(4)24(14,19(15,5)6)22(11,12)21(23,9)10/h1-14H3
InChIKeyPCIRUJFGIHTDCN-UHFFFAOYSA-N
MW330.60 g/mol
LogP7.80
Rot. Bonds

About 1,2,3,4,4,5,6,7,8,8,9,9,10,10-tetradecamethylbicyclo[3.3.2]deca-2,6-diene

1,2,3,4,4,5,6,7,8,8,9,9,10,10-tetradecamethylbicyclo[3.3.2]deca-2,6-diene (PubChem CID 58944228) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 1,2,3,4,4,5,6,7,8,8,9,9,10,10-tetradecamethylbicyclo[3.3.2]deca-2,6-diene.

Molecular Properties

Compound Name1,2,3,4,4,5,6,7,8,8,9,9,10,10-tetradecamethylbicyclo[3.3.2]deca-2,6-diene
PubChem CID58944228
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name1,2,3,4,4,5,6,7,8,8,9,9,10,10-tetradecamethylbicyclo[3.3.2]deca-2,6-diene
SMILESCC1=C(C)C2(C)C(C)(C)C(C)=C(C)C(C)(C1(C)C)C(C)(C)C2(C)C
InChIInChI=1S/C24H42/c1-15-17(3)23(13)20(7,8)16(2)18(4)24(14,19(15,5)6)22(11,12)21(23,9)10/h1-14H3
InChIKeyPCIRUJFGIHTDCN-UHFFFAOYSA-N
XLogP7.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 57.80
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

1,2,2,3,3,4,4,5,5,6,7,8-dodecamethylbicyclo[4.2.0]oct-7-ene
CID 58944323
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CID 158302871
1,2,3,4,4,5,5,6,7,7,8,8-dodecamethylbicyclo[4.1.1]oct-2-ene
CID 58307828
1,2,3,3,4,4-hexamethylcyclobutene
CID 21059265
1,3,4,4,5,6,7,8,9,10,11,11-dodecamethyltricyclo[5.4.0.03,10]undeca-5,8-diene
CID 58944204
1,2,3,4,4,5,6,6,7,8,9,9-dodecamethylbicyclo[3.3.1]nona-2,7-diene
CID 59660448
1,2,3,4,4,5,6,6,7,7-decamethylbicyclo[3.2.0]hept-2-ene;1,2,3,4,5,5,6,6,7,7-decamethylbicyclo[2.2.1]hept-2-ene;1,2,2,3,3,4,4,5,6,6-decamethylbicyclo[3.1.0]hexane;1,2-dimethylcyclohex-1-en-3,5-diyne;1,2,2,3,3,4,4,5,6,6,7,7-dodecamethylbicyclo[3.2.0]heptane;1,2,2,3,3,4,5,5,6,6,7,7-dodecamethylbicyclo[2.2.1]heptane;1,2,3,4,5,5,6,6,7,7,8,8-dodecamethylbicyclo[2.2.2]oct-2-ene;1,2,3,4,4,5,6,6-octamethylbicyclo[3.1.0]hex-2-ene;1,2,2,3,3,4,5,5,6,6,7,7,8,8-tetradecamethylbicyclo[2.2.2]octane
CID 157252003
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CID 58944182
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1,2,3,3,5,5-hexamethylspiro[cyclopentene-4,9'-fluorene]
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1,2,3,4,5,6,7-heptamethylbicyclo[3.2.0]hepta-3,6-dien-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4,5,6,7,8,8,9,9,10,10-tetradecamethylbicyclo[3.3.2]deca-2,6-diene?
The IUPAC name of 1,2,3,4,4,5,6,7,8,8,9,9,10,10-tetradecamethylbicyclo[3.3.2]deca-2,6-diene (CID 58944228) is 1,2,3,4,4,5,6,7,8,8,9,9,10,10-tetradecamethylbicyclo[3.3.2]deca-2,6-diene.
What is the SMILES notation for 1,2,3,4,4,5,6,7,8,8,9,9,10,10-tetradecamethylbicyclo[3.3.2]deca-2,6-diene?
The canonical SMILES for 1,2,3,4,4,5,6,7,8,8,9,9,10,10-tetradecamethylbicyclo[3.3.2]deca-2,6-diene is CC1=C(C)C2(C)C(C)(C)C(C)=C(C)C(C)(C1(C)C)C(C)(C)C2(C)C.
What is the InChIKey of 1,2,3,4,4,5,6,7,8,8,9,9,10,10-tetradecamethylbicyclo[3.3.2]deca-2,6-diene?
The InChIKey is PCIRUJFGIHTDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42/c1-15-17(3)23(13)20(7,8)16(2)18(4)24(14,19(15,5)6)22(11,12)21(23,9)10/h1-14H3.
What are the key properties of 1,2,3,4,4,5,6,7,8,8,9,9,10,10-tetradecamethylbicyclo[3.3.2]deca-2,6-diene?
1,2,3,4,4,5,6,7,8,8,9,9,10,10-tetradecamethylbicyclo[3.3.2]deca-2,6-diene has a molecular weight of 330.60 g/mol, XLogP of 7.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4,5,6,7,8,8,9,9,10,10-tetradecamethylbicyclo[3.3.2]deca-2,6-diene is sourced from PubChem (CID 58944228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).