(4aS,8aR)-2-deuterio-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C10H18 — CID 166447799

IUPAC(4aS,8aR)-2-deuterio-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILES[2H]C1CC[C@@H]2CCCC[C@@H]2C1
InChIInChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+/i1D/t1?,9-,10+/m0/s1
InChIKeyNNBZCPXTIHJBJL-QVZMYXLESA-N
MW139.26 g/mol
LogP3.37
Rot. Bonds

About (4aS,8aR)-2-deuterio-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

(4aS,8aR)-2-deuterio-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 166447799) has the molecular formula C10H18 and a molecular weight of 139.26 g/mol. Its IUPAC name is (4aS,8aR)-2-deuterio-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name(4aS,8aR)-2-deuterio-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID166447799
Molecular FormulaC10H18
Molecular Weight139.26 g/mol
Exact Mass139.15
IUPAC Name(4aS,8aR)-2-deuterio-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILES[2H]C1CC[C@@H]2CCCC[C@@H]2C1
InChIInChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+/i1D/t1?,9-,10+/m0/s1
InChIKeyNNBZCPXTIHJBJL-QVZMYXLESA-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 ≤ 500139.26
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-2-deuterio-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of (4aS,8aR)-2-deuterio-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 166447799) is (4aS,8aR)-2-deuterio-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for (4aS,8aR)-2-deuterio-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for (4aS,8aR)-2-deuterio-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is [2H]C1CC[C@@H]2CCCC[C@@H]2C1.
What is the InChIKey of (4aS,8aR)-2-deuterio-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is NNBZCPXTIHJBJL-QVZMYXLESA-N. The full InChI is InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+/i1D/t1?,9-,10+/m0/s1.
What are the key properties of (4aS,8aR)-2-deuterio-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
(4aS,8aR)-2-deuterio-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 139.26 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 (4aS,8aR)-2-deuterio-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 166447799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).