2,3,6,7-tetramethyl-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene

C18H28 — CID 14398334

IUPAC2,3,6,7-tetramethyl-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene
SMILESCC1=C(C)CC2CC3CC(C)=C(C)CC3CC2C1
InChIInChI=1S/C18H28/c1-11-5-15-9-17-7-13(3)14(4)8-18(17)10-16(15)6-12(11)2/h15-18H,5-10H2,1-4H3
InChIKeyYGGCVGOLXHCKNK-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.51
Rot. Bonds

About 2,3,6,7-tetramethyl-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene

2,3,6,7-tetramethyl-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene (PubChem CID 14398334) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 2,3,6,7-tetramethyl-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene.

Molecular Properties

Compound Name2,3,6,7-tetramethyl-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene
PubChem CID14398334
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name2,3,6,7-tetramethyl-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene
SMILESCC1=C(C)CC2CC3CC(C)=C(C)CC3CC2C1
InChIInChI=1S/C18H28/c1-11-5-15-9-17-7-13(3)14(4)8-18(17)10-16(15)6-12(11)2/h15-18H,5-10H2,1-4H3
InChIKeyYGGCVGOLXHCKNK-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetramethyl-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene?
The IUPAC name of 2,3,6,7-tetramethyl-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene (CID 14398334) is 2,3,6,7-tetramethyl-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene.
What is the SMILES notation for 2,3,6,7-tetramethyl-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene?
The canonical SMILES for 2,3,6,7-tetramethyl-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene is CC1=C(C)CC2CC3CC(C)=C(C)CC3CC2C1.
What is the InChIKey of 2,3,6,7-tetramethyl-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene?
The InChIKey is YGGCVGOLXHCKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-11-5-15-9-17-7-13(3)14(4)8-18(17)10-16(15)6-12(11)2/h15-18H,5-10H2,1-4H3.
What are the key properties of 2,3,6,7-tetramethyl-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene?
2,3,6,7-tetramethyl-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene has a molecular weight of 244.42 g/mol, XLogP of 5.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetramethyl-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene is sourced from PubChem (CID 14398334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).