1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane

C24H50 — CID 173273683

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
SMILESC1CCC2CCCCC2C1.C1CCCC1.CCC.CCCCCC
InChIInChI=1S/C10H18.C6H14.C5H10.C3H8/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-5-6-4-2;1-2-4-5-3-1;1-3-2/h9-10H,1-8H2;3-6H2,1-2H3;1-5H2;3H2,1-2H3
InChIKeyLDOJLCXDZRWBMO-UHFFFAOYSA-N
MW338.66 g/mol
LogP9.32
Rot. Bonds3

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane (PubChem CID 173273683) has the molecular formula C24H50 and a molecular weight of 338.66 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
PubChem CID173273683
Molecular FormulaC24H50
Molecular Weight338.66 g/mol
Exact Mass338.39
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
SMILESC1CCC2CCCCC2C1.C1CCCC1.CCC.CCCCCC
InChIInChI=1S/C10H18.C6H14.C5H10.C3H8/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-5-6-4-2;1-2-4-5-3-1;1-3-2/h9-10H,1-8H2;3-6H2,1-2H3;1-5H2;3H2,1-2H3
InChIKeyLDOJLCXDZRWBMO-UHFFFAOYSA-N
XLogP9.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.66
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 142383161
azane;cyclohexylcyclohexane;dodecanoic acid
CID 173305260
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992
alumane;cyclohexane;hexane
CID 175455201
cyclopropane;octadecane
CID 174865519
cyclobutane;ethane;hexane
CID 143857678
cyclopropane;icosane
CID 162221728
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane (CID 173273683) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane is C1CCC2CCCCC2C1.C1CCCC1.CCC.CCCCCC.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane?
The InChIKey is LDOJLCXDZRWBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.C6H14.C5H10.C3H8/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-5-6-4-2;1-2-4-5-3-1;1-3-2/h9-10H,1-8H2;3-6H2,1-2H3;1-5H2;3H2,1-2H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane has a molecular weight of 338.66 g/mol, XLogP of 9.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane is sourced from PubChem (CID 173273683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).