8,9,10-trimethylidene-2,3,4,4a,5,6,7,8a,9a,10a-decahydro-1H-anthracene

C17H24 — CID 175560244

IUPAC8,9,10-trimethylidene-2,3,4,4a,5,6,7,8a,9a,10a-decahydro-1H-anthracene
SMILESC=C1C2CCCCC2C(=C)C2C(=C)CCCC12
InChIInChI=1S/C17H24/c1-11-7-6-10-16-12(2)14-8-4-5-9-15(14)13(3)17(11)16/h14-17H,1-10H2
InChIKeyDRSLIVKQZJMHTH-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.89
Rot. Bonds

About 8,9,10-trimethylidene-2,3,4,4a,5,6,7,8a,9a,10a-decahydro-1H-anthracene

8,9,10-trimethylidene-2,3,4,4a,5,6,7,8a,9a,10a-decahydro-1H-anthracene (PubChem CID 175560244) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 8,9,10-trimethylidene-2,3,4,4a,5,6,7,8a,9a,10a-decahydro-1H-anthracene.

Molecular Properties

Compound Name8,9,10-trimethylidene-2,3,4,4a,5,6,7,8a,9a,10a-decahydro-1H-anthracene
PubChem CID175560244
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name8,9,10-trimethylidene-2,3,4,4a,5,6,7,8a,9a,10a-decahydro-1H-anthracene
SMILESC=C1C2CCCCC2C(=C)C2C(=C)CCCC12
InChIInChI=1S/C17H24/c1-11-7-6-10-16-12(2)14-8-4-5-9-15(14)13(3)17(11)16/h14-17H,1-10H2
InChIKeyDRSLIVKQZJMHTH-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.89
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 8,9,10-trimethylidene-2,3,4,4a,5,6,7,8a,9a,10a-decahydro-1H-anthracene?
The IUPAC name of 8,9,10-trimethylidene-2,3,4,4a,5,6,7,8a,9a,10a-decahydro-1H-anthracene (CID 175560244) is 8,9,10-trimethylidene-2,3,4,4a,5,6,7,8a,9a,10a-decahydro-1H-anthracene.
What is the SMILES notation for 8,9,10-trimethylidene-2,3,4,4a,5,6,7,8a,9a,10a-decahydro-1H-anthracene?
The canonical SMILES for 8,9,10-trimethylidene-2,3,4,4a,5,6,7,8a,9a,10a-decahydro-1H-anthracene is C=C1C2CCCCC2C(=C)C2C(=C)CCCC12.
What is the InChIKey of 8,9,10-trimethylidene-2,3,4,4a,5,6,7,8a,9a,10a-decahydro-1H-anthracene?
The InChIKey is DRSLIVKQZJMHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-11-7-6-10-16-12(2)14-8-4-5-9-15(14)13(3)17(11)16/h14-17H,1-10H2.
What are the key properties of 8,9,10-trimethylidene-2,3,4,4a,5,6,7,8a,9a,10a-decahydro-1H-anthracene?
8,9,10-trimethylidene-2,3,4,4a,5,6,7,8a,9a,10a-decahydro-1H-anthracene has a molecular weight of 228.38 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,10-trimethylidene-2,3,4,4a,5,6,7,8a,9a,10a-decahydro-1H-anthracene is sourced from PubChem (CID 175560244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).