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

C17H30 — CID 139994332

IUPAC1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
SMILESCCCC1CCCC2CC3CCCCC3CC12
InChIInChI=1S/C17H30/c1-2-6-13-9-5-10-16-11-14-7-3-4-8-15(14)12-17(13)16/h13-17H,2-12H2,1H3
InChIKeyYIHSCAPYSWQRGY-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.42
Rot. Bonds2

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

1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene (PubChem CID 139994332) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene.

Molecular Properties

Compound Name1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
PubChem CID139994332
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
SMILESCCCC1CCCC2CC3CCCCC3CC12
InChIInChI=1S/C17H30/c1-2-6-13-9-5-10-16-11-14-7-3-4-8-15(14)12-17(13)16/h13-17H,2-12H2,1H3
InChIKeyYIHSCAPYSWQRGY-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 1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene with MolForge

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Related Compounds

(1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 97184727
3-ethyltricyclo[4.3.1.12,5]undecane
CID 163995336
9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 172560711
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
ethane;6,6,7-trimethyl-2-(2-propylcyclohexyl)-1,2,3,3a,4,5,7,7a-octahydroindene
CID 90869503
1-[(3S,4aR,8aS)-5-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl]ethanone
CID 59131623
1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,1,4-tripropylcyclohexane
CID 173085935
3-propylbicyclo[5.1.0]octane
CID 123651402
2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382934
2-methyl-4-[5-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)pentyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 166038561
1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54214621
1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139911728

Frequently Asked Questions

What is the IUPAC name of 1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
The IUPAC name of 1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene (CID 139994332) is 1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene.
What is the SMILES notation for 1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
The canonical SMILES for 1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene is CCCC1CCCC2CC3CCCCC3CC12.
What is the InChIKey of 1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
The InChIKey is YIHSCAPYSWQRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-2-6-13-9-5-10-16-11-14-7-3-4-8-15(14)12-17(13)16/h13-17H,2-12H2,1H3.
What are the key properties of 1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
1-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 1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene is sourced from PubChem (CID 139994332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).