3-methyl-1-(3-methylcyclopenten-1-yl)oxycyclopentene

C12H18O — CID 175396079

IUPAC3-methyl-1-(3-methylcyclopenten-1-yl)oxycyclopentene
SMILESCC1C=C(OC2=CC(C)CC2)CC1
InChIInChI=1S/C12H18O/c1-9-3-5-11(7-9)13-12-6-4-10(2)8-12/h7-10H,3-6H2,1-2H3
InChIKeyVTVCWIUWMOZXFT-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.63
Rot. Bonds2

About 3-methyl-1-(3-methylcyclopenten-1-yl)oxycyclopentene

3-methyl-1-(3-methylcyclopenten-1-yl)oxycyclopentene (PubChem CID 175396079) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-methyl-1-(3-methylcyclopenten-1-yl)oxycyclopentene.

Molecular Properties

Compound Name3-methyl-1-(3-methylcyclopenten-1-yl)oxycyclopentene
PubChem CID175396079
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name3-methyl-1-(3-methylcyclopenten-1-yl)oxycyclopentene
SMILESCC1C=C(OC2=CC(C)CC2)CC1
InChIInChI=1S/C12H18O/c1-9-3-5-11(7-9)13-12-6-4-10(2)8-12/h7-10H,3-6H2,1-2H3
InChIKeyVTVCWIUWMOZXFT-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylcyclopenten-1-yl)oxycyclopentene?
The IUPAC name of 3-methyl-1-(3-methylcyclopenten-1-yl)oxycyclopentene (CID 175396079) is 3-methyl-1-(3-methylcyclopenten-1-yl)oxycyclopentene.
What is the SMILES notation for 3-methyl-1-(3-methylcyclopenten-1-yl)oxycyclopentene?
The canonical SMILES for 3-methyl-1-(3-methylcyclopenten-1-yl)oxycyclopentene is CC1C=C(OC2=CC(C)CC2)CC1.
What is the InChIKey of 3-methyl-1-(3-methylcyclopenten-1-yl)oxycyclopentene?
The InChIKey is VTVCWIUWMOZXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-9-3-5-11(7-9)13-12-6-4-10(2)8-12/h7-10H,3-6H2,1-2H3.
What are the key properties of 3-methyl-1-(3-methylcyclopenten-1-yl)oxycyclopentene?
3-methyl-1-(3-methylcyclopenten-1-yl)oxycyclopentene has a molecular weight of 178.28 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylcyclopenten-1-yl)oxycyclopentene is sourced from PubChem (CID 175396079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).