3-cyclohex-3-en-1-yl-1-methyl-1,2,3,4-tetrahydropentalene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene

C36H46 — CID 158565582

IUPAC3-cyclohex-3-en-1-yl-1-methyl-1,2,3,4-tetrahydropentalene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene
SMILESCC1CC(C2CC=CCC2)C2=C1C=CC2.Cc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1-2
InChIInChI=1S/C21H26.C15H20/c1-10-12(3)16(7)20-18(14(10)5)9-19-15(6)11(2)13(4)17(8)21(19)20;1-11-10-15(12-6-3-2-4-7-12)14-9-5-8-13(11)14/h9H2,1-8H3;2-3,5,8,11-12,15H,4,6-7,9-10H2,1H3
InChIKeyHRKXKZMAGZNXRC-UHFFFAOYSA-N
MW478.76 g/mol
LogP9.98
Rot. Bonds1

About 3-cyclohex-3-en-1-yl-1-methyl-1,2,3,4-tetrahydropentalene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene

3-cyclohex-3-en-1-yl-1-methyl-1,2,3,4-tetrahydropentalene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene (PubChem CID 158565582) has the molecular formula C36H46 and a molecular weight of 478.76 g/mol. Its IUPAC name is 3-cyclohex-3-en-1-yl-1-methyl-1,2,3,4-tetrahydropentalene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene.

Molecular Properties

Compound Name3-cyclohex-3-en-1-yl-1-methyl-1,2,3,4-tetrahydropentalene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene
PubChem CID158565582
Molecular FormulaC36H46
Molecular Weight478.76 g/mol
Exact Mass478.36
IUPAC Name3-cyclohex-3-en-1-yl-1-methyl-1,2,3,4-tetrahydropentalene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene
SMILESCC1CC(C2CC=CCC2)C2=C1C=CC2.Cc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1-2
InChIInChI=1S/C21H26.C15H20/c1-10-12(3)16(7)20-18(14(10)5)9-19-15(6)11(2)13(4)17(8)21(19)20;1-11-10-15(12-6-3-2-4-7-12)14-9-5-8-13(11)14/h9H2,1-8H3;2-3,5,8,11-12,15H,4,6-7,9-10H2,1H3
InChIKeyHRKXKZMAGZNXRC-UHFFFAOYSA-N
XLogP9.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.76
LogP ≤ 59.98
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

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CID 159697118
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CID 98525627
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CID 140983961
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CID 79967450
3,3a,4,7,8,8a-hexahydro-1H-cyclohepta[c]pyrrol-2-amine
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CID 18914846
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CID 143195942
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Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-3-en-1-yl-1-methyl-1,2,3,4-tetrahydropentalene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene?
The IUPAC name of 3-cyclohex-3-en-1-yl-1-methyl-1,2,3,4-tetrahydropentalene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene (CID 158565582) is 3-cyclohex-3-en-1-yl-1-methyl-1,2,3,4-tetrahydropentalene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene.
What is the SMILES notation for 3-cyclohex-3-en-1-yl-1-methyl-1,2,3,4-tetrahydropentalene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene?
The canonical SMILES for 3-cyclohex-3-en-1-yl-1-methyl-1,2,3,4-tetrahydropentalene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene is CC1CC(C2CC=CCC2)C2=C1C=CC2.Cc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1-2.
What is the InChIKey of 3-cyclohex-3-en-1-yl-1-methyl-1,2,3,4-tetrahydropentalene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene?
The InChIKey is HRKXKZMAGZNXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26.C15H20/c1-10-12(3)16(7)20-18(14(10)5)9-19-15(6)11(2)13(4)17(8)21(19)20;1-11-10-15(12-6-3-2-4-7-12)14-9-5-8-13(11)14/h9H2,1-8H3;2-3,5,8,11-12,15H,4,6-7,9-10H2,1H3.
What are the key properties of 3-cyclohex-3-en-1-yl-1-methyl-1,2,3,4-tetrahydropentalene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene?
3-cyclohex-3-en-1-yl-1-methyl-1,2,3,4-tetrahydropentalene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene has a molecular weight of 478.76 g/mol, XLogP of 9.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-3-en-1-yl-1-methyl-1,2,3,4-tetrahydropentalene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene is sourced from PubChem (CID 158565582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).