1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene

C12H20O — CID 12538382

IUPAC1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene
SMILESC1CCC2OC3CCCC3CC2C1
InChIInChI=1S/C12H20O/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)13-11/h9-12H,1-8H2
InChIKeyCWJZLUIBUOZGDA-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.13
Rot. Bonds

About 1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene

1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene (PubChem CID 12538382) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene.

Molecular Properties

Compound Name1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene
PubChem CID12538382
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene
SMILESC1CCC2OC3CCCC3CC2C1
InChIInChI=1S/C12H20O/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)13-11/h9-12H,1-8H2
InChIKeyCWJZLUIBUOZGDA-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene?
The IUPAC name of 1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene (CID 12538382) is 1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene.
What is the SMILES notation for 1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene?
The canonical SMILES for 1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene is C1CCC2OC3CCCC3CC2C1.
What is the InChIKey of 1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene?
The InChIKey is CWJZLUIBUOZGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)13-11/h9-12H,1-8H2.
What are the key properties of 1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene?
1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene has a molecular weight of 180.29 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene is sourced from PubChem (CID 12538382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).