(3-propan-2-yloxycyclopent-3-en-1-yl)benzene

C14H18O — CID 21447464

IUPAC(3-propan-2-yloxycyclopent-3-en-1-yl)benzene
SMILESCC(C)OC1=CCC(c2ccccc2)C1
InChIInChI=1S/C14H18O/c1-11(2)15-14-9-8-13(10-14)12-6-4-3-5-7-12/h3-7,9,11,13H,8,10H2,1-2H3
InChIKeyXGEJLUZHWFUYHE-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.87
Rot. Bonds3

About (3-propan-2-yloxycyclopent-3-en-1-yl)benzene

(3-propan-2-yloxycyclopent-3-en-1-yl)benzene (PubChem CID 21447464) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (3-propan-2-yloxycyclopent-3-en-1-yl)benzene.

Molecular Properties

Compound Name(3-propan-2-yloxycyclopent-3-en-1-yl)benzene
PubChem CID21447464
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(3-propan-2-yloxycyclopent-3-en-1-yl)benzene
SMILESCC(C)OC1=CCC(c2ccccc2)C1
InChIInChI=1S/C14H18O/c1-11(2)15-14-9-8-13(10-14)12-6-4-3-5-7-12/h3-7,9,11,13H,8,10H2,1-2H3
InChIKeyXGEJLUZHWFUYHE-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yloxycyclopent-3-en-1-yl)benzene?
The IUPAC name of (3-propan-2-yloxycyclopent-3-en-1-yl)benzene (CID 21447464) is (3-propan-2-yloxycyclopent-3-en-1-yl)benzene.
What is the SMILES notation for (3-propan-2-yloxycyclopent-3-en-1-yl)benzene?
The canonical SMILES for (3-propan-2-yloxycyclopent-3-en-1-yl)benzene is CC(C)OC1=CCC(c2ccccc2)C1.
What is the InChIKey of (3-propan-2-yloxycyclopent-3-en-1-yl)benzene?
The InChIKey is XGEJLUZHWFUYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-11(2)15-14-9-8-13(10-14)12-6-4-3-5-7-12/h3-7,9,11,13H,8,10H2,1-2H3.
What are the key properties of (3-propan-2-yloxycyclopent-3-en-1-yl)benzene?
(3-propan-2-yloxycyclopent-3-en-1-yl)benzene has a molecular weight of 202.30 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yloxycyclopent-3-en-1-yl)benzene is sourced from PubChem (CID 21447464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).