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

C10H18 — CID 7044

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC1CCC2CCCCC2C1
InChIInChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2
InChIKeyNNBZCPXTIHJBJL-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.37
Rot. Bonds

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

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 7044) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID7044
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC1CCC2CCCCC2C1
InChIInChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2
InChIKeyNNBZCPXTIHJBJL-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 7044) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is C1CCC2CCCCC2C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is NNBZCPXTIHJBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 138.25 g/mol, XLogP of 3.37, 0 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 is sourced from PubChem (CID 7044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).