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

C26H50 — CID 173085741

IUPAC1,4-diethyl-1-propylcyclohexane;1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCC1(CC)CCC(CC)CC1.CCCC1CCCC2CCCCC12
InChIInChI=1S/C13H24.C13H26/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12;1-4-9-13(6-3)10-7-12(5-2)8-11-13/h11-13H,2-10H2,1H3;12H,4-11H2,1-3H3
InChIKeyAUIARKMTFKQJDE-UHFFFAOYSA-N
MW362.69 g/mol
LogP9.18
Rot. Bonds6

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

1,4-diethyl-1-propylcyclohexane;1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 173085741) has the molecular formula C26H50 and a molecular weight of 362.69 g/mol. Its IUPAC name is 1,4-diethyl-1-propylcyclohexane;1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1,4-diethyl-1-propylcyclohexane;1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID173085741
Molecular FormulaC26H50
Molecular Weight362.69 g/mol
Exact Mass362.39
IUPAC Name1,4-diethyl-1-propylcyclohexane;1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCC1(CC)CCC(CC)CC1.CCCC1CCCC2CCCCC12
InChIInChI=1S/C13H24.C13H26/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12;1-4-9-13(6-3)10-7-12(5-2)8-11-13/h11-13H,2-10H2,1H3;12H,4-11H2,1-3H3
InChIKeyAUIARKMTFKQJDE-UHFFFAOYSA-N
XLogP9.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.69
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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Related Compounds

1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,1,4-tripropylcyclohexane
CID 173085935
(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
1,3-diethyl-1-propylcyclohexadecane
CID 123944709
1-[2-(2-methyl-5-pentylcyclopentyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143902616
1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 90715549
1-ethyl-1-propylcyclobutane
CID 58586108
4-ethyl-4-propylcyclohexan-1-ol
CID 91476830
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114

Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-1-propylcyclohexane;1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1,4-diethyl-1-propylcyclohexane;1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 173085741) is 1,4-diethyl-1-propylcyclohexane;1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1,4-diethyl-1-propylcyclohexane;1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1,4-diethyl-1-propylcyclohexane;1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCCC1(CC)CCC(CC)CC1.CCCC1CCCC2CCCCC12.
What is the InChIKey of 1,4-diethyl-1-propylcyclohexane;1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is AUIARKMTFKQJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24.C13H26/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12;1-4-9-13(6-3)10-7-12(5-2)8-11-13/h11-13H,2-10H2,1H3;12H,4-11H2,1-3H3.
What are the key properties of 1,4-diethyl-1-propylcyclohexane;1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1,4-diethyl-1-propylcyclohexane;1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 362.69 g/mol, XLogP of 9.18, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-1-propylcyclohexane;1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 173085741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).