(3aZ,5E)-1-propan-2-yl-2,3,7,8,9,10,11,12,13,13a-decahydro-1H-cyclopenta[12]annulene

C18H30 — CID 173268473

IUPAC(3aZ,5E)-1-propan-2-yl-2,3,7,8,9,10,11,12,13,13a-decahydro-1H-cyclopenta[12]annulene
SMILESCC(C)C1CC/C2=C/C=C/CCCCCCCC21
InChIInChI=1S/C18H30/c1-15(2)17-14-13-16-11-9-7-5-3-4-6-8-10-12-18(16)17/h7,9,11,15,17-18H,3-6,8,10,12-14H2,1-2H3/b9-7+,16-11-
InChIKeyPGVWTXQWROAZDJ-SZFVZERQSA-N
MW246.44 g/mol
LogP5.90
Rot. Bonds1

About (3aZ,5E)-1-propan-2-yl-2,3,7,8,9,10,11,12,13,13a-decahydro-1H-cyclopenta[12]annulene

(3aZ,5E)-1-propan-2-yl-2,3,7,8,9,10,11,12,13,13a-decahydro-1H-cyclopenta[12]annulene (PubChem CID 173268473) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is (3aZ,5E)-1-propan-2-yl-2,3,7,8,9,10,11,12,13,13a-decahydro-1H-cyclopenta[12]annulene.

Molecular Properties

Compound Name(3aZ,5E)-1-propan-2-yl-2,3,7,8,9,10,11,12,13,13a-decahydro-1H-cyclopenta[12]annulene
PubChem CID173268473
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name(3aZ,5E)-1-propan-2-yl-2,3,7,8,9,10,11,12,13,13a-decahydro-1H-cyclopenta[12]annulene
SMILESCC(C)C1CC/C2=C/C=C/CCCCCCCC21
InChIInChI=1S/C18H30/c1-15(2)17-14-13-16-11-9-7-5-3-4-6-8-10-12-18(16)17/h7,9,11,15,17-18H,3-6,8,10,12-14H2,1-2H3/b9-7+,16-11-
InChIKeyPGVWTXQWROAZDJ-SZFVZERQSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3aZ,5E)-1-propan-2-yl-2,3,7,8,9,10,11,12,13,13a-decahydro-1H-cyclopenta[12]annulene with MolForge

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Related Compounds

3-propan-2-yl-1,2,3,3a,4,5,6,7,8,9-decahydrocyclopenta[11]annulene
CID 91350597
(3aZ,5E)-1-ethyl-2,3,7,8,9,10,11,12,13,13a-decahydro-1H-cyclopenta[12]annulene
CID 173268331
(10E)-1,3-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,9-decahydrocyclopenta[11]annulene
CID 173198121
(3aZ,5Z)-1,3-di(propan-2-yl)-1,2,3,7,8,9,10,10a-octahydrocyclopenta[9]annulene
CID 18402422
(3aZ,5Z)-1-ethyl-2,3,7,8,9,9a-hexahydro-1H-cyclopenta[8]annulene
CID 18402419
1-cyclooctylcycloocta-1,3-diene
CID 154370011
(1Z,3Z)-1-methylcyclodeca-1,3-diene
CID 142058765
1-methylcyclodeca-1,3-diene
CID 123810679
1,3-dimethyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene
CID 91602787
(1Z)-3-cyclopenta-1,3-dien-1-ylcyclodecene
CID 163639530
(5E)-1,3-dimethyl-1,2,3,7,8,9,10,10a-octahydrocyclopenta[9]annulene
CID 173198108
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354

Frequently Asked Questions

What is the IUPAC name of (3aZ,5E)-1-propan-2-yl-2,3,7,8,9,10,11,12,13,13a-decahydro-1H-cyclopenta[12]annulene?
The IUPAC name of (3aZ,5E)-1-propan-2-yl-2,3,7,8,9,10,11,12,13,13a-decahydro-1H-cyclopenta[12]annulene (CID 173268473) is (3aZ,5E)-1-propan-2-yl-2,3,7,8,9,10,11,12,13,13a-decahydro-1H-cyclopenta[12]annulene.
What is the SMILES notation for (3aZ,5E)-1-propan-2-yl-2,3,7,8,9,10,11,12,13,13a-decahydro-1H-cyclopenta[12]annulene?
The canonical SMILES for (3aZ,5E)-1-propan-2-yl-2,3,7,8,9,10,11,12,13,13a-decahydro-1H-cyclopenta[12]annulene is CC(C)C1CC/C2=C/C=C/CCCCCCCC21.
What is the InChIKey of (3aZ,5E)-1-propan-2-yl-2,3,7,8,9,10,11,12,13,13a-decahydro-1H-cyclopenta[12]annulene?
The InChIKey is PGVWTXQWROAZDJ-SZFVZERQSA-N. The full InChI is InChI=1S/C18H30/c1-15(2)17-14-13-16-11-9-7-5-3-4-6-8-10-12-18(16)17/h7,9,11,15,17-18H,3-6,8,10,12-14H2,1-2H3/b9-7+,16-11-.
What are the key properties of (3aZ,5E)-1-propan-2-yl-2,3,7,8,9,10,11,12,13,13a-decahydro-1H-cyclopenta[12]annulene?
(3aZ,5E)-1-propan-2-yl-2,3,7,8,9,10,11,12,13,13a-decahydro-1H-cyclopenta[12]annulene has a molecular weight of 246.44 g/mol, XLogP of 5.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aZ,5E)-1-propan-2-yl-2,3,7,8,9,10,11,12,13,13a-decahydro-1H-cyclopenta[12]annulene is sourced from PubChem (CID 173268473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).