9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene

C17H30 — CID 172560711

IUPAC9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
SMILESCCCC1C2CCCCC2CC2CCCCC21
InChIInChI=1S/C17H30/c1-2-7-17-15-10-5-3-8-13(15)12-14-9-4-6-11-16(14)17/h13-17H,2-12H2,1H3
InChIKeyBMCZXQWWMHBRIS-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.42
Rot. Bonds2

About 9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene

9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene (PubChem CID 172560711) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene.

Molecular Properties

Compound Name9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
PubChem CID172560711
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
SMILESCCCC1C2CCCCC2CC2CCCCC21
InChIInChI=1S/C17H30/c1-2-7-17-15-10-5-3-8-13(15)12-14-9-4-6-11-16(14)17/h13-17H,2-12H2,1H3
InChIKeyBMCZXQWWMHBRIS-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene with MolForge

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Related Compounds

9-propyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene
CID 12574118
1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 139994332
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 58552321
7-cyclononyl-1-methyl-3-(2-methylcyclohexyl)-2-propylcyclodecane
CID 58552791
(1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 97184727
2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382934
2-cyclohexyl-1-(2-cyclohexylethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 58552522
(1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane
CID 58729228
9-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 59963526
1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 147174204
1,3-dimethyl-2-propylcycloheptane
CID 123611013

Frequently Asked Questions

What is the IUPAC name of 9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
The IUPAC name of 9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene (CID 172560711) is 9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene.
What is the SMILES notation for 9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
The canonical SMILES for 9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene is CCCC1C2CCCCC2CC2CCCCC21.
What is the InChIKey of 9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
The InChIKey is BMCZXQWWMHBRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-2-7-17-15-10-5-3-8-13(15)12-14-9-4-6-11-16(14)17/h13-17H,2-12H2,1H3.
What are the key properties of 9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene has a molecular weight of 234.43 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene is sourced from PubChem (CID 172560711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).