1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene

C14H20 — CID 12551508

IUPAC1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene
SMILESC1=CCC2CC3CC=CCC3CC2C1
InChIInChI=1S/C14H20/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-4,11-14H,5-10H2
InChIKeyYETOGUWATCETMA-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.94
Rot. Bonds

About 1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene

1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene (PubChem CID 12551508) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene.

Molecular Properties

Compound Name1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene
PubChem CID12551508
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene
SMILESC1=CCC2CC3CC=CCC3CC2C1
InChIInChI=1S/C14H20/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-4,11-14H,5-10H2
InChIKeyYETOGUWATCETMA-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.94
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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alpha-Selinene
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9beta-Pimara-7,15-diene
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Amorpha-4,11-diene
CID 11052747
1-epi-Bicyclosesquiphellandrene
CID 521496
gamma-Cadinene
CID 6432404
Isopimara-7,15-diene
CID 13969536
cis-Muurola-4(14),5-diene
CID 51351709
(-)-3,5-Cadinadiene
CID 73102629
gamma-Muurolene
CID 12313020
(-)-gamma-Cadinene
CID 92313

Frequently Asked Questions

What is the IUPAC name of 1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene?
The IUPAC name of 1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene (CID 12551508) is 1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene.
What is the SMILES notation for 1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene?
The canonical SMILES for 1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene is C1=CCC2CC3CC=CCC3CC2C1.
What is the InChIKey of 1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene?
The InChIKey is YETOGUWATCETMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-4,11-14H,5-10H2.
What are the key properties of 1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene?
1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene has a molecular weight of 188.31 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene is sourced from PubChem (CID 12551508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).