2,2-dimethyl-6-propyl-octahydro-1H-2,4a-methanonapthalene

C16H28 — CID 141472764

IUPAC2,2-dimethyl-6-propyl-octahydro-1H-2,4a-methanonapthalene
SMILESCCCC12CCC3(C1)C(CCCC3(C)C)C2
InChIInChI=1S/C16H28/c1-4-7-15-9-10-16(12-15)13(11-15)6-5-8-14(16,2)3/h13H,4-12H2,1-3H3
InChIKeyWDEGRFAAVYBTQG-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.17
Rot. Bonds2

About 2,2-dimethyl-6-propyl-octahydro-1H-2,4a-methanonapthalene

2,2-dimethyl-6-propyl-octahydro-1H-2,4a-methanonapthalene (PubChem CID 141472764) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 2,2-dimethyl-6-propyl-octahydro-1H-2,4a-methanonapthalene.

Molecular Properties

Compound Name2,2-dimethyl-6-propyl-octahydro-1H-2,4a-methanonapthalene
PubChem CID141472764
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name2,2-dimethyl-6-propyl-octahydro-1H-2,4a-methanonapthalene
SMILESCCCC12CCC3(C1)C(CCCC3(C)C)C2
InChIInChI=1S/C16H28/c1-4-7-15-9-10-16(12-15)13(11-15)6-5-8-14(16,2)3/h13H,4-12H2,1-3H3
InChIKeyWDEGRFAAVYBTQG-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-propyl-octahydro-1H-2,4a-methanonapthalene?
The IUPAC name of 2,2-dimethyl-6-propyl-octahydro-1H-2,4a-methanonapthalene (CID 141472764) is 2,2-dimethyl-6-propyl-octahydro-1H-2,4a-methanonapthalene.
What is the SMILES notation for 2,2-dimethyl-6-propyl-octahydro-1H-2,4a-methanonapthalene?
The canonical SMILES for 2,2-dimethyl-6-propyl-octahydro-1H-2,4a-methanonapthalene is CCCC12CCC3(C1)C(CCCC3(C)C)C2.
What is the InChIKey of 2,2-dimethyl-6-propyl-octahydro-1H-2,4a-methanonapthalene?
The InChIKey is WDEGRFAAVYBTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-4-7-15-9-10-16(12-15)13(11-15)6-5-8-14(16,2)3/h13H,4-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-propyl-octahydro-1H-2,4a-methanonapthalene?
2,2-dimethyl-6-propyl-octahydro-1H-2,4a-methanonapthalene has a molecular weight of 220.40 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-propyl-octahydro-1H-2,4a-methanonapthalene is sourced from PubChem (CID 141472764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).