1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene

C10H18 — CID 54398064

IUPAC1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
SMILESCC1CC2CCC(C)C2C1
InChIInChI=1S/C10H18/c1-7-5-9-4-3-8(2)10(9)6-7/h7-10H,3-6H2,1-2H3
InChIKeyUNZZQLYHBBBKHD-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.08
Rot. Bonds

About 1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene

1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene (PubChem CID 54398064) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene.

Molecular Properties

Compound Name1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
PubChem CID54398064
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
SMILESCC1CC2CCC(C)C2C1
InChIInChI=1S/C10H18/c1-7-5-9-4-3-8(2)10(9)6-7/h7-10H,3-6H2,1-2H3
InChIKeyUNZZQLYHBBBKHD-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
The IUPAC name of 1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene (CID 54398064) is 1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene.
What is the SMILES notation for 1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
The canonical SMILES for 1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene is CC1CC2CCC(C)C2C1.
What is the InChIKey of 1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
The InChIKey is UNZZQLYHBBBKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-7-5-9-4-3-8(2)10(9)6-7/h7-10H,3-6H2,1-2H3.
What are the key properties of 1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene has a molecular weight of 138.25 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene is sourced from PubChem (CID 54398064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).