10a-hydroxy-1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[8]annulen-7-one

C12H20O2 — CID 54570965

IUPAC10a-hydroxy-1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[8]annulen-7-one
SMILESO=C1CCCC2(O)CCCCC2CC1
InChIInChI=1S/C12H20O2/c13-11-5-3-9-12(14)8-2-1-4-10(12)6-7-11/h10,14H,1-9H2
InChIKeyZXFMSOYWKLTPGN-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.44
Rot. Bonds

About 10a-hydroxy-1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[8]annulen-7-one

10a-hydroxy-1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[8]annulen-7-one (PubChem CID 54570965) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 10a-hydroxy-1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[8]annulen-7-one.

Molecular Properties

Compound Name10a-hydroxy-1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[8]annulen-7-one
PubChem CID54570965
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name10a-hydroxy-1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[8]annulen-7-one
SMILESO=C1CCCC2(O)CCCCC2CC1
InChIInChI=1S/C12H20O2/c13-11-5-3-9-12(14)8-2-1-4-10(12)6-7-11/h10,14H,1-9H2
InChIKeyZXFMSOYWKLTPGN-UHFFFAOYSA-N
XLogP2.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10a-hydroxy-1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[8]annulen-7-one?
The IUPAC name of 10a-hydroxy-1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[8]annulen-7-one (CID 54570965) is 10a-hydroxy-1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[8]annulen-7-one.
What is the SMILES notation for 10a-hydroxy-1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[8]annulen-7-one?
The canonical SMILES for 10a-hydroxy-1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[8]annulen-7-one is O=C1CCCC2(O)CCCCC2CC1.
What is the InChIKey of 10a-hydroxy-1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[8]annulen-7-one?
The InChIKey is ZXFMSOYWKLTPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-11-5-3-9-12(14)8-2-1-4-10(12)6-7-11/h10,14H,1-9H2.
What are the key properties of 10a-hydroxy-1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[8]annulen-7-one?
10a-hydroxy-1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[8]annulen-7-one has a molecular weight of 196.29 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10a-hydroxy-1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[8]annulen-7-one is sourced from PubChem (CID 54570965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).