1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene;ethane

C12H18O — CID 143852065

IUPAC1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene;ethane
SMILESC1=CC2CC2C2=C1OCCC2.CC
InChIInChI=1S/C10H12O.C2H6/c1-2-8-9-6-7(9)3-4-10(8)11-5-1;1-2/h3-4,7,9H,1-2,5-6H2;1-2H3
InChIKeyPUEWHBROSABOQR-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.28
Rot. Bonds

About 1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene;ethane

1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene;ethane (PubChem CID 143852065) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene;ethane.

Molecular Properties

Compound Name1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene;ethane
PubChem CID143852065
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene;ethane
SMILESC1=CC2CC2C2=C1OCCC2.CC
InChIInChI=1S/C10H12O.C2H6/c1-2-8-9-6-7(9)3-4-10(8)11-5-1;1-2/h3-4,7,9H,1-2,5-6H2;1-2H3
InChIKeyPUEWHBROSABOQR-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene;ethane?
The IUPAC name of 1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene;ethane (CID 143852065) is 1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene;ethane.
What is the SMILES notation for 1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene;ethane?
The canonical SMILES for 1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene;ethane is C1=CC2CC2C2=C1OCCC2.CC.
What is the InChIKey of 1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene;ethane?
The InChIKey is PUEWHBROSABOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C2H6/c1-2-8-9-6-7(9)3-4-10(8)11-5-1;1-2/h3-4,7,9H,1-2,5-6H2;1-2H3.
What are the key properties of 1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene;ethane?
1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene;ethane has a molecular weight of 178.27 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene;ethane is sourced from PubChem (CID 143852065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).