4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran

C10H18O — CID 45098403

IUPAC4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran
SMILESCC1COCC2C(C)CCC12
InChIInChI=1S/C10H18O/c1-7-3-4-9-8(2)5-11-6-10(7)9/h7-10H,3-6H2,1-2H3
InChIKeyBSOMMQKXQBBLDD-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.32
Rot. Bonds

About 4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran

4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran (PubChem CID 45098403) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran.

Molecular Properties

Compound Name4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran
PubChem CID45098403
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran
SMILESCC1COCC2C(C)CCC12
InChIInChI=1S/C10H18O/c1-7-3-4-9-8(2)5-11-6-10(7)9/h7-10H,3-6H2,1-2H3
InChIKeyBSOMMQKXQBBLDD-UHFFFAOYSA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran?
The IUPAC name of 4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran (CID 45098403) is 4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran.
What is the SMILES notation for 4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran?
The canonical SMILES for 4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran is CC1COCC2C(C)CCC12.
What is the InChIKey of 4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran?
The InChIKey is BSOMMQKXQBBLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7-3-4-9-8(2)5-11-6-10(7)9/h7-10H,3-6H2,1-2H3.
What are the key properties of 4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran?
4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran has a molecular weight of 154.25 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran is sourced from PubChem (CID 45098403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).