(5E)-1,3-dimethyl-1,2,3,7,8,9,10,10a-octahydrocyclopenta[9]annulene

C14H22 — CID 173198108

IUPAC(5E)-1,3-dimethyl-1,2,3,7,8,9,10,10a-octahydrocyclopenta[9]annulene
SMILESCC1CC(C)C2CCCC/C=C/C=C12
InChIInChI=1S/C14H22/c1-11-10-12(2)14-9-7-5-3-4-6-8-13(11)14/h4,6,8,11-12,14H,3,5,7,9-10H2,1-2H3/b6-4+,13-8?
InChIKeyCSNBDKLSBILWAL-UYRLDZTFSA-N
MW190.33 g/mol
LogP4.34
Rot. Bonds

About (5E)-1,3-dimethyl-1,2,3,7,8,9,10,10a-octahydrocyclopenta[9]annulene

(5E)-1,3-dimethyl-1,2,3,7,8,9,10,10a-octahydrocyclopenta[9]annulene (PubChem CID 173198108) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (5E)-1,3-dimethyl-1,2,3,7,8,9,10,10a-octahydrocyclopenta[9]annulene.

Molecular Properties

Compound Name(5E)-1,3-dimethyl-1,2,3,7,8,9,10,10a-octahydrocyclopenta[9]annulene
PubChem CID173198108
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(5E)-1,3-dimethyl-1,2,3,7,8,9,10,10a-octahydrocyclopenta[9]annulene
SMILESCC1CC(C)C2CCCC/C=C/C=C12
InChIInChI=1S/C14H22/c1-11-10-12(2)14-9-7-5-3-4-6-8-13(11)14/h4,6,8,11-12,14H,3,5,7,9-10H2,1-2H3/b6-4+,13-8?
InChIKeyCSNBDKLSBILWAL-UYRLDZTFSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5E)-1,3-dimethyl-1,2,3,7,8,9,10,10a-octahydrocyclopenta[9]annulene?
The IUPAC name of (5E)-1,3-dimethyl-1,2,3,7,8,9,10,10a-octahydrocyclopenta[9]annulene (CID 173198108) is (5E)-1,3-dimethyl-1,2,3,7,8,9,10,10a-octahydrocyclopenta[9]annulene.
What is the SMILES notation for (5E)-1,3-dimethyl-1,2,3,7,8,9,10,10a-octahydrocyclopenta[9]annulene?
The canonical SMILES for (5E)-1,3-dimethyl-1,2,3,7,8,9,10,10a-octahydrocyclopenta[9]annulene is CC1CC(C)C2CCCC/C=C/C=C12.
What is the InChIKey of (5E)-1,3-dimethyl-1,2,3,7,8,9,10,10a-octahydrocyclopenta[9]annulene?
The InChIKey is CSNBDKLSBILWAL-UYRLDZTFSA-N. The full InChI is InChI=1S/C14H22/c1-11-10-12(2)14-9-7-5-3-4-6-8-13(11)14/h4,6,8,11-12,14H,3,5,7,9-10H2,1-2H3/b6-4+,13-8?.
What are the key properties of (5E)-1,3-dimethyl-1,2,3,7,8,9,10,10a-octahydrocyclopenta[9]annulene?
(5E)-1,3-dimethyl-1,2,3,7,8,9,10,10a-octahydrocyclopenta[9]annulene has a molecular weight of 190.33 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1,3-dimethyl-1,2,3,7,8,9,10,10a-octahydrocyclopenta[9]annulene is sourced from PubChem (CID 173198108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).