(10E)-1,3-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,9-decahydrocyclopenta[11]annulene

C20H34 — CID 173198121

IUPAC(10E)-1,3-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,9-decahydrocyclopenta[11]annulene
SMILESCC(C)C1CC(C(C)C)C2CCCCCC/C=C/C=C12
InChIInChI=1S/C20H34/c1-15(2)19-14-20(16(3)4)18-13-11-9-7-5-6-8-10-12-17(18)19/h8,10,12,15-16,18-20H,5-7,9,11,13-14H2,1-4H3/b10-8+,17-12?
InChIKeyNFSCRROPIIVLJS-YSVGSCBDSA-N
MW274.49 g/mol
LogP6.39
Rot. Bonds2

About (10E)-1,3-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,9-decahydrocyclopenta[11]annulene

(10E)-1,3-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,9-decahydrocyclopenta[11]annulene (PubChem CID 173198121) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is (10E)-1,3-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,9-decahydrocyclopenta[11]annulene.

Molecular Properties

Compound Name(10E)-1,3-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,9-decahydrocyclopenta[11]annulene
PubChem CID173198121
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name(10E)-1,3-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,9-decahydrocyclopenta[11]annulene
SMILESCC(C)C1CC(C(C)C)C2CCCCCC/C=C/C=C12
InChIInChI=1S/C20H34/c1-15(2)19-14-20(16(3)4)18-13-11-9-7-5-6-8-10-12-17(18)19/h8,10,12,15-16,18-20H,5-7,9,11,13-14H2,1-4H3/b10-8+,17-12?
InChIKeyNFSCRROPIIVLJS-YSVGSCBDSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (10E)-1,3-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,9-decahydrocyclopenta[11]annulene?
The IUPAC name of (10E)-1,3-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,9-decahydrocyclopenta[11]annulene (CID 173198121) is (10E)-1,3-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,9-decahydrocyclopenta[11]annulene.
What is the SMILES notation for (10E)-1,3-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,9-decahydrocyclopenta[11]annulene?
The canonical SMILES for (10E)-1,3-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,9-decahydrocyclopenta[11]annulene is CC(C)C1CC(C(C)C)C2CCCCCC/C=C/C=C12.
What is the InChIKey of (10E)-1,3-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,9-decahydrocyclopenta[11]annulene?
The InChIKey is NFSCRROPIIVLJS-YSVGSCBDSA-N. The full InChI is InChI=1S/C20H34/c1-15(2)19-14-20(16(3)4)18-13-11-9-7-5-6-8-10-12-17(18)19/h8,10,12,15-16,18-20H,5-7,9,11,13-14H2,1-4H3/b10-8+,17-12?.
What are the key properties of (10E)-1,3-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,9-decahydrocyclopenta[11]annulene?
(10E)-1,3-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,9-decahydrocyclopenta[11]annulene has a molecular weight of 274.49 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (10E)-1,3-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,9-decahydrocyclopenta[11]annulene is sourced from PubChem (CID 173198121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).