1,2,3,4,9,10-hexahydroanthracene

C14H16 — CID 12777064

IUPAC1,2,3,4,9,10-hexahydroanthracene
SMILESc1ccc2c(c1)CC1=C(CCCC1)C2
InChIInChI=1S/C14H16/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-2,5-6H,3-4,7-10H2
InChIKeyHDGCDASGELNYIR-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.66
Rot. Bonds

About 1,2,3,4,9,10-hexahydroanthracene

1,2,3,4,9,10-hexahydroanthracene (PubChem CID 12777064) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1,2,3,4,9,10-hexahydroanthracene.

Molecular Properties

Compound Name1,2,3,4,9,10-hexahydroanthracene
PubChem CID12777064
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name1,2,3,4,9,10-hexahydroanthracene
SMILESc1ccc2c(c1)CC1=C(CCCC1)C2
InChIInChI=1S/C14H16/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-2,5-6H,3-4,7-10H2
InChIKeyHDGCDASGELNYIR-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.66
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 1,2,3,4,9,10-hexahydroanthracene?
The IUPAC name of 1,2,3,4,9,10-hexahydroanthracene (CID 12777064) is 1,2,3,4,9,10-hexahydroanthracene.
What is the SMILES notation for 1,2,3,4,9,10-hexahydroanthracene?
The canonical SMILES for 1,2,3,4,9,10-hexahydroanthracene is c1ccc2c(c1)CC1=C(CCCC1)C2.
What is the InChIKey of 1,2,3,4,9,10-hexahydroanthracene?
The InChIKey is HDGCDASGELNYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-2,5-6H,3-4,7-10H2.
What are the key properties of 1,2,3,4,9,10-hexahydroanthracene?
1,2,3,4,9,10-hexahydroanthracene has a molecular weight of 184.28 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,9,10-hexahydroanthracene is sourced from PubChem (CID 12777064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).