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

C10H18 — CID 59289743

IUPAC5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene
SMILESCC1(C)CC2CCCC2C1
InChIInChI=1S/C10H18/c1-10(2)6-8-4-3-5-9(8)7-10/h8-9H,3-7H2,1-2H3
InChIKeyPIKWCXUIKZDGIM-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.22
Rot. Bonds

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

5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene (PubChem CID 59289743) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene.

Molecular Properties

Compound Name5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene
PubChem CID59289743
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene
SMILESCC1(C)CC2CCCC2C1
InChIInChI=1S/C10H18/c1-10(2)6-8-4-3-5-9(8)7-10/h8-9H,3-7H2,1-2H3
InChIKeyPIKWCXUIKZDGIM-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 5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene?
The IUPAC name of 5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene (CID 59289743) is 5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene.
What is the SMILES notation for 5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene?
The canonical SMILES for 5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene is CC1(C)CC2CCCC2C1.
What is the InChIKey of 5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene?
The InChIKey is PIKWCXUIKZDGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-10(2)6-8-4-3-5-9(8)7-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene?
5,5-dimethyl-2,3,3a,4,6,6a-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 5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene is sourced from PubChem (CID 59289743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).