1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,1,4-tripropylcyclohexane

C28H54 — CID 173085935

IUPAC1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,1,4-tripropylcyclohexane
SMILESCCCC1CCC(CCC)(CCC)CC1.CCCC1CCCC2CCCCC12
InChIInChI=1S/C15H30.C13H24/c1-4-7-14-8-12-15(10-5-2,11-6-3)13-9-14;1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h14H,4-13H2,1-3H3;11-13H,2-10H2,1H3
InChIKeyJLOCTRIXHATYFX-UHFFFAOYSA-N
MW390.74 g/mol
LogP9.96
Rot. Bonds8

About 1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,1,4-tripropylcyclohexane

1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,1,4-tripropylcyclohexane (PubChem CID 173085935) has the molecular formula C28H54 and a molecular weight of 390.74 g/mol. Its IUPAC name is 1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,1,4-tripropylcyclohexane.

Molecular Properties

Compound Name1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,1,4-tripropylcyclohexane
PubChem CID173085935
Molecular FormulaC28H54
Molecular Weight390.74 g/mol
Exact Mass390.42
IUPAC Name1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,1,4-tripropylcyclohexane
SMILESCCCC1CCC(CCC)(CCC)CC1.CCCC1CCCC2CCCCC12
InChIInChI=1S/C15H30.C13H24/c1-4-7-14-8-12-15(10-5-2,11-6-3)13-9-14;1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h14H,4-13H2,1-3H3;11-13H,2-10H2,1H3
InChIKeyJLOCTRIXHATYFX-UHFFFAOYSA-N
XLogP9.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.74
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,1,4-tripropylcyclohexane with MolForge

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Related Compounds

1,4-diethyl-1-propylcyclohexane;1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 173085741
(1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 97184727
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
(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 165360268
1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 139994332
4-cyclohexyl-1-propyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane
CID 175597724
1-[2-(2-methyl-5-pentylcyclopentyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143902616
1-cyclohexyl-6-propylcyclodecane
CID 58552139
ethane;6,6,7-trimethyl-2-(2-propylcyclohexyl)-1,2,3,3a,4,5,7,7a-octahydroindene
CID 90869503
1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 90715549
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114

Frequently Asked Questions

What is the IUPAC name of 1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,1,4-tripropylcyclohexane?
The IUPAC name of 1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,1,4-tripropylcyclohexane (CID 173085935) is 1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,1,4-tripropylcyclohexane.
What is the SMILES notation for 1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,1,4-tripropylcyclohexane?
The canonical SMILES for 1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,1,4-tripropylcyclohexane is CCCC1CCC(CCC)(CCC)CC1.CCCC1CCCC2CCCCC12.
What is the InChIKey of 1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,1,4-tripropylcyclohexane?
The InChIKey is JLOCTRIXHATYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30.C13H24/c1-4-7-14-8-12-15(10-5-2,11-6-3)13-9-14;1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h14H,4-13H2,1-3H3;11-13H,2-10H2,1H3.
What are the key properties of 1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,1,4-tripropylcyclohexane?
1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,1,4-tripropylcyclohexane has a molecular weight of 390.74 g/mol, XLogP of 9.96, 8 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-decahydronaphthalene;1,1,4-tripropylcyclohexane is sourced from PubChem (CID 173085935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).