10,10-dimethyl-4,4a,5,8-tetrahydro-1H-anthracene

C16H20 — CID 90740419

IUPAC10,10-dimethyl-4,4a,5,8-tetrahydro-1H-anthracene
SMILESCC1(C)C2=C(C=C3CC=CCC31)CC=CC2
InChIInChI=1S/C16H20/c1-16(2)14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16/h3-6,11,14H,7-10H2,1-2H3
InChIKeyWOFUYUKSNQACBH-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.57
Rot. Bonds

About 10,10-dimethyl-4,4a,5,8-tetrahydro-1H-anthracene

10,10-dimethyl-4,4a,5,8-tetrahydro-1H-anthracene (PubChem CID 90740419) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 10,10-dimethyl-4,4a,5,8-tetrahydro-1H-anthracene.

Molecular Properties

Compound Name10,10-dimethyl-4,4a,5,8-tetrahydro-1H-anthracene
PubChem CID90740419
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name10,10-dimethyl-4,4a,5,8-tetrahydro-1H-anthracene
SMILESCC1(C)C2=C(C=C3CC=CCC31)CC=CC2
InChIInChI=1S/C16H20/c1-16(2)14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16/h3-6,11,14H,7-10H2,1-2H3
InChIKeyWOFUYUKSNQACBH-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.57
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 10,10-dimethyl-4,4a,5,8-tetrahydro-1H-anthracene?
The IUPAC name of 10,10-dimethyl-4,4a,5,8-tetrahydro-1H-anthracene (CID 90740419) is 10,10-dimethyl-4,4a,5,8-tetrahydro-1H-anthracene.
What is the SMILES notation for 10,10-dimethyl-4,4a,5,8-tetrahydro-1H-anthracene?
The canonical SMILES for 10,10-dimethyl-4,4a,5,8-tetrahydro-1H-anthracene is CC1(C)C2=C(C=C3CC=CCC31)CC=CC2.
What is the InChIKey of 10,10-dimethyl-4,4a,5,8-tetrahydro-1H-anthracene?
The InChIKey is WOFUYUKSNQACBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-16(2)14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of 10,10-dimethyl-4,4a,5,8-tetrahydro-1H-anthracene?
10,10-dimethyl-4,4a,5,8-tetrahydro-1H-anthracene has a molecular weight of 212.34 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-4,4a,5,8-tetrahydro-1H-anthracene is sourced from PubChem (CID 90740419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).