2,6a-dimethyl-2,3,3a,4,5,6-hexahydro-1H-pentalene

C10H18 — CID 91213116

IUPAC2,6a-dimethyl-2,3,3a,4,5,6-hexahydro-1H-pentalene
SMILESCC1CC2CCCC2(C)C1
InChIInChI=1S/C10H18/c1-8-6-9-4-3-5-10(9,2)7-8/h8-9H,3-7H2,1-2H3
InChIKeyRZIGYHGLKUDRHL-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.22
Rot. Bonds

About 2,6a-dimethyl-2,3,3a,4,5,6-hexahydro-1H-pentalene

2,6a-dimethyl-2,3,3a,4,5,6-hexahydro-1H-pentalene (PubChem CID 91213116) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2,6a-dimethyl-2,3,3a,4,5,6-hexahydro-1H-pentalene.

Molecular Properties

Compound Name2,6a-dimethyl-2,3,3a,4,5,6-hexahydro-1H-pentalene
PubChem CID91213116
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2,6a-dimethyl-2,3,3a,4,5,6-hexahydro-1H-pentalene
SMILESCC1CC2CCCC2(C)C1
InChIInChI=1S/C10H18/c1-8-6-9-4-3-5-10(9,2)7-8/h8-9H,3-7H2,1-2H3
InChIKeyRZIGYHGLKUDRHL-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,6a-dimethyl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
The IUPAC name of 2,6a-dimethyl-2,3,3a,4,5,6-hexahydro-1H-pentalene (CID 91213116) is 2,6a-dimethyl-2,3,3a,4,5,6-hexahydro-1H-pentalene.
What is the SMILES notation for 2,6a-dimethyl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
The canonical SMILES for 2,6a-dimethyl-2,3,3a,4,5,6-hexahydro-1H-pentalene is CC1CC2CCCC2(C)C1.
What is the InChIKey of 2,6a-dimethyl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
The InChIKey is RZIGYHGLKUDRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-8-6-9-4-3-5-10(9,2)7-8/h8-9H,3-7H2,1-2H3.
What are the key properties of 2,6a-dimethyl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
2,6a-dimethyl-2,3,3a,4,5,6-hexahydro-1H-pentalene has a molecular weight of 138.25 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6a-dimethyl-2,3,3a,4,5,6-hexahydro-1H-pentalene is sourced from PubChem (CID 91213116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).